4-Hydroxy-B-nitrostyrene

C₈H₇NO₃CAS 3179-08-6165.15 g/mol

Open in Covalent MOL file

Alkene Nitro Phenol

Properties

Molecular formula: C₈H₇NO₃
Molar mass: 165.15 g/mol
Exact mass: 165.0426 Da
logP: 1.64Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3179-08-6

SMILES

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

InChIKey

CTJKRKMPTRJAIT-AATRIKPKSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-[(1E)-2-Nitroethenyl]phenol

Work with 4-Hydroxy-B-nitrostyrene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

β-Nitrostyrene102-96-563 % similar trans-4-Methyl-beta-nitrostyrene5153-68-463 % similar 1-Chloro-4-(2-nitroethenyl)benzene706-07-063 % similar 1-Fluoro-4-(2-nitroethenyl)benzene706-08-163 % similar 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-057 % similar 3,4-Dichloro-omega-nitrostyrene18984-16-253 % similar 2-Methoxy-4-((E)-2-nitrovinyl)phenol6178-42-351 % similar 5-(2-Nitroethenyl)-1,3-benzodioxole1485-00-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

P-Nitroacetophenone100-19-6 Methyl 6-formylpyridine-3-carboxylate10165-86-3 3′-Nitroacetophenone121-89-1 2-Methyl-5-nitrobenzaldehyde16634-91-6 5-Nitro-2,3-dihydro-1-benzofuran17403-47-3 3-Methyl-4-nitrobenzaldehyde18515-67-8 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-3 2-Amino-3-formylbenzoic acid27867-47-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook