CAS 102-94-3 | 2-Propenoic acid, 3-phenyl-, (2Z)- | CAS Number 102-94-3

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102-94-3 | 2-Propenoic acid, 3-phenyl-, (2Z)-

CAS No: 102-94-3 Catalog No: AG000697 MDL No:MFCD00466869

Product Description

Catalog Number:

AG000697

Chemical Name:

2-Propenoic acid, 3-phenyl-, (2Z)-

CAS Number:

102-94-3

Molecular Formula:

C9H8O2

Molecular Weight:

148.1586

MDL Number:

MFCD00466869

IUPAC Name:

(Z)-3-phenylprop-2-enoic acid

InChI:

InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-

InChI Key:

WBYWAXJHAXSJNI-SREVYHEPSA-N

SMILES:

OC(=O)/C=C\c1ccccc1

NSC Number:

174025

Properties

Complexity:

155

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

148.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

148.161g/mol

Monoisotopic Mass:

148.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Transformation of cinnamic acid from trans- to cis-form raises a notable bactericidal and synergistic activity against multiple-drug resistant Mycobacterium tuberculosis.	European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20110614