chempirical

1-Methoxy-3-(2-nitrovinyl)benzene

C9H9NO3CAS 3179-09-7179.17 g/mol

Open in Covalent MOL file
ON+OO−
AlkeneEtherNitro

Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
logP
1.94Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
3179-09-7
SMILES
COC1=CC=CC(=C1)/C=C/[N+](=O)[O-]
InChIKey
IJBGIPFDIABTKB-AATRIKPKSA-N
InChI
InChI=1S/C9H9NO3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3/b6-5+

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Work with 1-Methoxy-3-(2-nitrovinyl)benzene

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

2,4-Dimethoxy-omega-nitrostyrene1891-10-763 % similar 2,5-Dimethoxy-beta-nitrostyrene40276-11-763 % similar 2-Methoxy-β-nitrostyrene3316-24-356 % similar β-Nitrostyrene102-96-556 % similar 3-Methoxybenzaldehyde591-31-153 % similar 3,4-Dichloro-omega-nitrostyrene18984-16-251 % similar 3-Methoxycinnamic acid17570-26-250 % similar 3-Methoxycinnamic acid6099-04-350 % similar

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

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 Methyl 2-acetylpyridine-4-carboxylate138715-82-9 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 1-(3-Nitrophenyl)-1-propanone17408-16-1 3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0

Elsewhere

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