1-Cyanocyclopropanecarboxylic acid

C₅H₅NO₂CAS 6914-79-0111.10 g/mol

Open in Covalent MOL file

Carboxylic acid Nitrile

Properties

Molecular formula: C₅H₅NO₂
Molar mass: 111.10 g/mol
Exact mass: 111.0320 Da
Melting point: 135–136 °C
logP: 0.37Crippen estimate
Polar surface area: 61.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

6914-79-0

SMILES

N#CC1(C(=O)O)CC1

InChIKey

KSJJMSKNZVXAND-UHFFFAOYSA-N

InChI

InChI=1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)

Weigh it out

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

Names and synonyms

2 names

Cyclopropanecarboxylic acid, 1-cyano-
1-Cyano-1-cyclopropanecarboxylic acid

Work with 1-Cyanocyclopropanecarboxylic acid

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-Hydroxypyridine N-oxide13161-30-3 2,3-Dihydroxypyridine16867-04-2 2-(Acetyloxy)-2-propenenitrile3061-65-2 5-Hydroxy-2(1H)-pyridinone5154-01-8 2-Furancarboxamide609-38-1 4-Hydroxy-2(1H)-pyridinone626-03-9 2,6-Dihydroxypyridine626-06-2 Pyrrole-2-carboxylic acid634-97-9

Elsewhere

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