chempirical

3,4,5-Trimethoxybenzonitrile

C10H11NO3CAS 1885-35-4193.20 g/mol

Open in Covalent MOL file
ONOO
EtherNitrile

Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
Melting point
91 °C
logP
1.58Crippen estimate
Polar surface area
51.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
1885-35-4
SMILES
COc1cc(C#N)cc(OC)c1OC
InChIKey
OSBQUSPVORCDCU-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3

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

Names and synonyms

3 names
  • Benzonitrile, 3,4,5-trimethoxy-
  • 3,4,5-Trimethoxybenzenecarbonitrile
  • NSC 408924

Work with 3,4,5-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

3,5-Dibromo-4-methoxybenzonitrile3336-39-860 % similar 3,5-Dimethoxybenzonitrile19179-31-857 % similar 3-Methoxy-4-methylbenzonitrile3556-60-356 % similar 4-Fluoro-3-methoxybenzonitrile243128-37-255 % similar 4-Hydroxy-3-methoxybenzonitrile4421-08-355 % similar (3,4,5-Trimethoxyphenyl)acetonitrile13338-63-153 % similar 3-Ethoxy-4-methoxybenzonitrile60758-86-351 % similar 3-Chloro-4-methoxybenzonitrile102151-33-750 % 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 N-Benzoyl-L-alanine2198-64-3

Elsewhere

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