4-Hydroxy-B-nitrostyrene

C8H7NO3CAS 3179-08-6165.15 g/mol

Open in Covalent MOL file
N+OO−OH
AlkeneNitroPhenol

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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+

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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

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