Name: Name:3-(2-Nitrophenyl)propanoic acid
Brand: Angene
SKU: AG002CJI
Rating: 90 (10 reviews)

3-(2-Nitrophenyl)propanoic acid

CAS No.:

2001-32-3

Catalog Number:

AG002CJI

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

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Product Description

Catalog Number:

AG002CJI

Chemical Name:

3-(2-Nitrophenyl)propanoic acid

CAS Number:

2001-32-3

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

MDL Number:

MFCD00130002

IUPAC Name:

3-(2-nitrophenyl)propanoic acid

InChI:

InChI=1S/C9H9NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)

InChI Key:

OARKUZWAGHQLSL-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1ccccc1[N+](=O)[O-]

EC Number:

217-889-8

NSC Number:

99344

Properties

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.174g/mol

Monoisotopic Mass:

195.053g/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
N-(2-Chloro-phen-yl)-1-phenyl-formamido 3-(2-nitro-phen-yl)propano-ate.	Acta crystallographica. Section E, Structure reports online 20121001

Properties