2-Nitrocinnamic acid

CAT: 1489-N7560-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-N7560-01Size:5 g

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CAS Number

612-41-9

Purity

0.96

Chemical Information

3-(2-Nitrophenyl)-2-propenoic acid

CAS Number	612-41-9
PubChem CID	735923
IUPAC Name	(E)-3-(2-nitrophenyl)prop-2-enoic acid
Molecular Formula	C9H7NO4
Molecular Weight	193.16
XLogP	1.5
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	256

SMILES

C1=CC=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-]

InChI

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

InChIKey

BBQDLDVSEDAYAA-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 612-41-9

CID: 735923

Formula: C9H7NO4

MW: 193.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.16
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	193.03750770
Monoisotopic Mass	193.03750770
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A3100	2-Acrylamido-2-methylpropanesulfonic acid-acrylic acid copolymer
C2990-01	2-Chlorobenzoic acid
N9270-01	2-Nitrobenzoic Acid
T6410-01	2-Thiophenecarboxylic acid
T6570-01	2-Tetrahydrofuroic acid
P5600-01	2-Picolinic Acid
K8110-01	2-Ketobutyric acid
F7600-01	2-Furanboronic acid
F7620-01	2-Furoic acid
A3060	2-Aminophenylacetic acid

Catalog	Name
FN67686-01	2-Nitrocinnamic acid
BAA01396-01	Trans-2-Nitrocinnamic Acid
OR1032143-01	(E) -2-Nitrocinnamic acid
HY-W015069-01	4-Nitrocinnamic acid
OR13070	5-Chloro-2-nitrocinnamic acid
OR2084-01	2-Chloro-5-nitrocinnamic acid
sc-352348	3-Nitrocinnamic acid
FH55446-01	2-Hydroxy-5-nitrocinnamic acid
FB70063-01	4-Bromo-2-nitrocinnamic acid
FD70232-01	4,5-Dimethoxy-2-nitrocinnamic acid