chempirical

2,5-Dimethyl-β-oxo-3-furanpropanenitrile

C9H9NO2CAS 175276-62-7163.18 g/mol

Open in Covalent MOL file
ONO
KetoneNitrile

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
logP
1.99Crippen estimate
Polar surface area
54.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
175276-62-7
SMILES
Cc1cc(C(=O)CC#N)c(C)o1
InChIKey
BTGHXCBKXUBEIA-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c1-6-5-8(7(2)12-6)9(11)3-4-10/h5H,3H2,1-2H3

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Names and synonyms

2 names
  • 3-Furanpropanenitrile, 2,5-dimethyl-β-oxo-
  • 3-(2,5-Dimethylfuran-3-yl)-3-oxopropionitrile

Work with 2,5-Dimethyl-β-oxo-3-furanpropanenitrile

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

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 3,5-Dimethoxybenzonitrile19179-31-8 3,4-Dimethoxybenzonitrile2024-83-1 7-Hydroxy-3,4-dihydro-2(1H)-quinolinone22246-18-0

Elsewhere

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