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margaric acid - Substance Summary (SID 7849670)

RN given refers to unlabeled parent cpd


Drug and Chemical Information: (Total:1)         

Safety and Toxicology

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature


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Data Source:   
Depositor: LipidMAPS
External ID: LMFA01010017

Depositor-Supplied Synonyms: (Total: 4)
Sort:
Margaric acid
HEPTADECANOIC ACID
Heptadecylic acid
LMFA01010017


Properties Computed from Structure:
Molecular Weight270.45066 [g/mol]
Molecular FormulaC17H34O2
XLogP36.9
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count15
Exact Mass270.25588
MonoIsotopic Mass270.25588
Topological Polar Surface Area37.3
Heavy Atom Count19
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: heptadecanoic acid
Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)O
InChI: InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-
16H2,1H3,(H,18,19)
InChIKey: KEMQGTRYUADPNZ-UHFFFAOYSA-N


Substance Information:
SID 7849670   
Deposit Date: 2006-01-13
Modify Date: 2008-05-14

CID 10465   
Create Date: 2004-09-16

Related Substances:
Same: 26 Links
Same, Connectivity: 33 Links

Similar Substances: 2676 Links

     
Compound Displayed

2D

3D
Compound ID10465
Molecular Weight270.45066 [g/mol]
Molecular FormulaC17H34O2
XLogP36.9
H-Bond Donor1
H-Bond Acceptor2


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