chempirical

2,3,4-Trimethoxybenzonitrile

C10H11NO3CAS 43020-38-8193.20 g/mol

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ONOO
EtherNitrile

Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
Melting point
58 °C
Boiling point
164–167 °C (at 8 Torr)
logP
1.58Crippen estimate
Polar surface area
51.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
43020-38-8
SMILES
COc1ccc(C#N)c(OC)c1OC
InChIKey
YCSGHMDKBZNXJC-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5H,1-3H3

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Names and synonyms

1 names
  • Benzonitrile, 2,3,4-trimethoxy-

Work with 2,3,4-Trimethoxybenzonitrile

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

2,3-Dimethoxybenzonitrile5653-62-370 % similar 2-Chloro-3,4-dimethoxybenzonitrile119413-61-569 % similar 4-Methoxy-1-naphthalenecarbonitrile5961-55-759 % similar 2,3-Difluoro-4-methoxybenzonitrile256417-12-658 % similar 2-Methoxybenzonitrile6609-56-957 % similar 2,5-Dimethoxybenzonitrile5312-97-055 % similar 5-Bromo-2-methoxybenzonitrile144649-99-051 % similar 5-Fluoro-2-methoxybenzonitrile189628-38-451 % similar

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

Same formula

N-Benzoyl-dl-alanine1205-02-3 Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-9 (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid128502-56-7 N-Formyl-L-phenylalanine13200-85-6 Ethyl oxanilate1457-85-8 N-Acetyl-dl-phenylglycine15962-46-6 Actarit18699-02-0 3,4,5-Trimethoxybenzonitrile1885-35-4

Elsewhere

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