Acetic Acid - Compound Summary (CID 176)
Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed)
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Medication Information
Each 100 mL contains:Glacial Acetic Acid USP 0.25 gWater for Injection USP qspH: 3.1 (2.83.4)Calculated Osmolarity: 42 mOsmol/liter The formula of the active ingredient is:Ingredient Molecular Fo 0.25% Acetic Acid Irrigation, USP, is a sterile, nonpyrogenic aqueous solution of Glacial Acetic Acid, USP for irrigation of the urinary bladder by the transurethral route (NOT FOR TUR). Each 100 mL contains 250 mg of Glacial Acetic Acid,  0.25% Acetic Acid Irrigation, USP, is a sterile, nonpyrogenic hypotonic solution for irrigation of the urinary bladder. Each 100 mL contains 250 mg Glacial Acetic Acid, USP, (CH3COOH) in Water for Injection. pH 3.0 (2.8 to 3.4). Acetic Acid 2% in Aqueous Aluminum Acetate Otic Solution contains acetic acid 2% as the active ingredient, in a solution containing aluminum acetate (formed from Aluminum Sulfate, Calcium Carbonate, Glacial Acetic Acid), Boric Acid, Sodium Acetic Acid Otic Solution, USP is a solution of acetic acid (2%), in a propylene glycol vehicle containing propylene glycol diacetate (3%), benzethonium chloride (0.02%), sodium acetate (0.015%), and citric acid. The empirical formula for Acetic Acid Otic Solution, USP is a nonaqueous solution of glacial acetic acid, USP (2%), in a propylene glycol vehicle containing benzethonium chloride, USP (0.02%); propylene glycol diacetate, NF (3%) and sodium acetate, USP (0.015%). It Indicators and Reagents
- Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. ... Indicators and Reagents
- Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)  |
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 BioActivity Results:
Tested in BioAssays: All: 1 Inactive: 1
BioActivity Summary: This Compound with Similar Compounds
AID: 248 Source: DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice
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 Properties Computed from Structure:
| Molecular Weight | 60.05196 [g/mol] | | Molecular Formula | C2H4O2 | | XLogP3-AA | -0.2 | | H-Bond Donor | 1 | | H-Bond Acceptor | 2 | | Rotatable Bond Count | 0 | | Exact Mass | 60.021129 | | MonoIsotopic Mass | 60.021129 | | Topological Polar Surface Area | 37.3 | | Heavy Atom Count | 4 | | Formal Charge | 0 | | Complexity | 31 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 0 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: acetic acid
Canonical SMILES: CC(=O)O
InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
Compound Information:
 Substance Information:
Substances:
All: 22238 Links Same structure: 1678 Links Mixture: 20560 LinksCategory: [for same structure substances]
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| Compound ID | 176 |
| | Molecular Weight | 60.05196 [g/mol] |
| | Molecular Formula | C2H4O2 |
| | XLogP3-AA | -0.2 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 2 |
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