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Substance Summary (SID 194687)


Data Source:   
Depositor: ChemIDplus
External ID: 100257805

Depositor-Supplied Synonyms: (Total: 3)
Sort:
2-(p-Methoxyphenyl)-2-methyl-1,3-dioxolane-4-methanol
1,3-DIOXOLANE-4-METHANOL, 2-(p-METHOXYPHENYL)-2-METHYL-
100257-80-5


Properties Computed from Structure:
Molecular Weight224.25304 [g/mol]
Molecular FormulaC12H16O4
XLogP3-AA0.9
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count3
Exact Mass224.104859
MonoIsotopic Mass224.104859
Topological Polar Surface Area47.9
Heavy Atom Count16
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: [2-(4-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
Canonical SMILES: CC1(OCC(O1)CO)C2=CC=C(C=C2)OC
InChI: InChI=1S/C12H16O4/c1-12(15-8-11(7-13)16-12)9-3-5-10(14-2)6-4-9/h3-6,11,
13H,7-8H2,1-2H3
InChIKey: FDYCIYORWVHQEQ-UHFFFAOYSA-N


Substance Information:
SID 194687   
Deposit Date: 2005-08-08
Modify Date: 2006-04-28

CID 57665   
Create Date: 2005-08-08

Related Substances:
Same: 5 Links

Similar Substances: 1853 Links

     
Compound Displayed

2D

3D
Compound ID57665
Molecular Weight224.25304 [g/mol]
Molecular FormulaC12H16O4
XLogP3-AA0.9
H-Bond Donor1
H-Bond Acceptor4


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