chempirical

Cyclohexanepropanoic acid

C9H16O2CAS 701-97-3156.22 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C9H16O2
Molar mass
156.22 g/mol
Exact mass
156.1150 Da
Density
0.9848 g/mL (at 38 °C)
Melting point
16 °C
Boiling point
276.5 °C
logP
2.43Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
701-97-3
SMILES
O=C(O)CCC1CCCCC1
InChIKey
HJZLEGIHUQOJBA-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)

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

Names and synonyms

7 names
  • Cyclohexanepropionic acid
  • 3-Cyclohexanepropionic acid
  • 3-Cyclohexylpropanoic acid
  • 3-Cyclohexylpropionic acid
  • Cyclohexylpropionic acid
  • NSC 404945
  • 3-Cyclohexanepropanoic acid

Work with Cyclohexanepropanoic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cypionic acid140-77-295 % similar Cyclohexanebutanoic acid4441-63-883 % similar Cyclohexaneacetic acid5292-21-764 % similar Cyclopentaneacetic acid1123-00-860 % similar 4-Ethyloctanoic acid16493-80-458 % similar Pimelic acid111-16-057 % similar Sebacic acid111-20-657 % similar Pentadecanedioic acid1460-18-057 % similar

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

Same formula

Gamma-nonalactone104-61-0 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-6 Allyl hexanoate123-68-2 Olean180-84-7 2,6-Dimethyl-3,5-heptanedione18362-64-6 Hexyl acrylate2499-95-8 4-Hydroxynonenal29343-52-0 Ethyl cyclohexanecarboxylate3289-28-9

Elsewhere

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