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CID57665 - Compound Summary (CID 57665)

Depositor-Supplied Synonyms: (Total: 5)
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CID57665
LS-62614
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


Compound Information:
CID 57665   
Create Date: 2005-08-08


Similar Compounds: 746 Links
Similar Conformers: 157 Links    View Conformers


Substance Information:
Substances: 5 Links

Category: [for same structure substances]
Biological Properties: 3 Links
   DiscoveryGate ( 1 )
SID 8185367 - External ID: 57665
   LeadScope ( 1 )
SID 49963663 - External ID: LS-62614
   NextBio ( 1 )
SID 52457739 - External ID: 57665

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 43115335 - External ID: 51983

Toxicology: 1 Link
   ChemIDplus ( 1 )
SID 194687 - External ID: 100257805
     

2D

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


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