CAS 1199-77-5 | 2-Propenoic acid, 2-methyl-3-phenyl- | CAS Number 1199-77-5

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1199-77-5 | 2-Propenoic acid, 2-methyl-3-phenyl-

CAS No: 1199-77-5 Catalog No: AG000PUK MDL No:MFCD00002652

Product Description

Catalog Number:

AG000PUK

Chemical Name:

2-Propenoic acid, 2-methyl-3-phenyl-

CAS Number:

1199-77-5

Molecular Formula:

C10H10O2

Molecular Weight:

162.1852

MDL Number:

MFCD00002652

IUPAC Name:

(E)-2-methyl-3-phenylprop-2-enoic acid

InChI:

InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+

InChI Key:

XNCRUNXWPDJHGV-BQYQJAHWSA-N

SMILES:

CC(=Cc1ccccc1)C(=O)O

EC Number:

214-847-0

Properties

Complexity:

188

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

162.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

162.188g/mol

Monoisotopic Mass:

162.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Gene expression profiling for analysis acquired oxaliplatin resistant factors in human gastric carcinoma TSGH-S3 cells: the role of IL-6 signaling and Nrf2/AKR1C axis identification.	Biochemical pharmacology 20131001
Reduction of doxorubicin and oracin and induction of carbonyl reductase in human breast carcinoma MCF-7 cells.	Chemico-biological interactions 20081022
Cinnamic acids as new inhibitors of 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3).	Molecular and cellular endocrinology 20060327
Achiral ligands dramatically enhance rate and enantioselectivity in the Rh/phosphoramidite-catalyzed hydrogenation of alpha,beta-disubstituted unsaturated acids.	Angewandte Chemie (International ed. in English) 20050704