CAS 89761-18-2 | 2-Propenoic acid, 3-(2-nitrophenyl)-, (Z)- | CAS Number 89761-18-2

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89761-18-2 | 2-Propenoic acid, 3-(2-nitrophenyl)-, (Z)-

CAS No: 89761-18-2 Catalog No: AG0040PT MDL No:

Product Description

Catalog Number:

AG0040PT

Chemical Name:

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

CAS Number:

89761-18-2

Molecular Formula:

C9H7NO4

Molecular Weight:

193.1562

IUPAC Name:

3-(2-nitrophenyl)prop-2-enoic acid

InChI:

InChI=1S/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)

InChI Key:

BBQDLDVSEDAYAA-UHFFFAOYSA-N

SMILES:

OC(=O)/C=C\c1ccccc1[N+](=O)[O-]

Properties

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.158g/mol

Monoisotopic Mass:

193.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Poly[tetra-μ-aqua-diaqua-tetra-kis-[μ-(E)-2-nitro-cinnamato]tetra-rubidium].	Acta crystallographica. Section E, Structure reports online 20111101
Sodium 2-nitro-cinnamate dihydrate: a one-dimensional hydrogen-bonded coordination polymer.	Acta crystallographica. Section E, Structure reports online 20090901
Synthesis, chemical characterization and biological screening for cytotoxicity and antitumor activity of organotin (IV) derivatives of 3,4-methylenedioxy 6-nitrophenylpropenoic acid.	Molecules (Basel, Switzerland) 20071025