Trans-2-Hydroxy-β-nitrostyrene

CAT: 0024-sc-237163Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-237163Size:5 g

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CAS Number

3156-43-2

Chemical Information

2-[(E)-2-Nitroethenyl]phenol

CAS Number	3156-43-2
PubChem CID	5824057
IUPAC Name	2-[(E)-2-nitroethenyl]phenol
Molecular Formula	C8H7NO3
Molecular Weight	165.15
XLogP	1.9
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	185

SMILES

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

InChI

InChI=1S/C8H7NO3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H/b6-5+

InChIKey

PMDYAIGGZBRBFX-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 3156-43-2

CID: 5824057

Formula: C8H7NO3

MW: 165.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.15
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	165.042593085
Monoisotopic Mass	165.042593085
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	185
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
sc-229519	Trans-4-Hydroxy-β-nitrostyrene
sc-237187	Trans-3-Hydroxy-β-nitrostyrene
sc-255667	Trans-β-Nitrostyrene
sc-258272	Trans-4-Hydroxy-3-methoxy-β-nitrostyrene
sc-229482	Trans-2-Bromo-β-nitrostyrene
sc-237164	Trans-2-Methoxy-β-nitrostyrene
sc-229959	2-Benzyloxy-trans-β-nitrostyrene
sc-237133	Trans-β-Methyl-β-nitrostyrene
sc-237176	Trans-2,5-Dimethoxy-β-nitrostyrene
sc-237159	Trans-2-Chloro-beta-nitrostyrene

Catalog	Name
OR1079625	Trans-2-Hydroxy-Β-Nitrostyrene
467961-01	Trans-β-Nitrostyrene
TRC-N525000-10G	trans-Beta-Nitrostyrene
OR1015258-01	Trans-2-Chloro-Beta-Nitrostyrene
166858	Trans-3-Bromo-β-nitrostyrene
166878	Trans-m-Chloro-β-nitrostyrene
OR916627-01	4-Hydroxy-b-nitrostyrene
FF66051	3'-Fluoro-2'-hydroxy-β-methyl-β-nitrostyrene
OR1021486	3-Ethoxy-2-hydroxy-beta-nitrostyrene
FAA15368-01	Trans-4-Methyl-beta-nitrostyrene