CAS 115610-79-2 | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-phenyl-2-propen-1-yl ester | CAS Number 115610-79-2

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115610-79-2 | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-phenyl-2-propen-1-yl ester

CAS No: 115610-79-2 Catalog No: AG000G9G MDL No:

Product Description

Catalog Number:

AG000G9G

Chemical Name:

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-phenyl-2-propen-1-yl ester

CAS Number:

115610-79-2

Molecular Formula:

C18H16O4

Molecular Weight:

296.3172

IUPAC Name:

3-phenylprop-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

InChI:

InChI=1S/C18H16O4/c19-16-10-8-15(13-17(16)20)9-11-18(21)22-12-4-7-14-5-2-1-3-6-14/h1-11,13,19-20H,12H2

InChI Key:

GRZQNEYQRVPNRY-UHFFFAOYSA-N

SMILES:

O=C(C=Cc1ccc(c(c1)O)O)OCC=Cc1ccccc1

Properties

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.322g/mol

Monoisotopic Mass:

296.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
A new ester isolated from Ferula assa-foetida L.	Bioscience, biotechnology, and biochemistry 20070901
Caffeic acid phenethyl ester (CAPE) analogues: potent nitric oxide inhibitors from the Netherlands propolis.	Biological & pharmaceutical bulletin 20030401