CAS 882-06-4 | (E)-3-(4-Nitrophenyl)acrylic acid | CAS Number 882-06-4

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882-06-4 | (E)-3-(4-Nitrophenyl)acrylic acid

CAS No: 882-06-4 Catalog No: AG003UYC MDL No:MFCD00007381

Product Description

Catalog Number:

AG003UYC

Chemical Name:

(E)-3-(4-Nitrophenyl)acrylic acid

CAS Number:

882-06-4

Molecular Formula:

C9H7NO4

Molecular Weight:

193.1562

MDL Number:

MFCD00007381

IUPAC Name:

(E)-3-(4-nitrophenyl)prop-2-enoic acid

InChI:

InChI=1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/b6-3+

InChI Key:

XMMRNCHTDONGRJ-ZZXKWVIFSA-N

SMILES:

OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:

248

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:

2.1

Literature

Title	Journal
Synthesis and structure--activity relationships of substituted cinnamic acids and amide analogues: a new class of herbicides.	Journal of agricultural and food chemistry 20090422
Structure-activity relationships of trans-cinnamic acid derivatives on alpha-glucosidase inhibition.	Bioorganic & medicinal chemistry letters 20040607