Cycloheptanecarboxylic acid
Properties
- Molecular formula
- C8H14O2
- Molar mass
- 142.20 g/mol
- Exact mass
- 142.0994 Da
- Density
- 1.0423 g/mL (at 20 °C)
- Melting point
- 97.5–98 °C
- Boiling point
- 259 °C
- logP
- 2.04Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
1460-16-8SMILES
O=C(O)C1CCCCCC1InChIKey
VZFUCHSFHOYXIS-UHFFFAOYSA-NInChI
InChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- NSC 18964
- Cycloheptylcarboxylic acid
- Cycloheptanoic acid
Work with Cycloheptanecarboxylic 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
Cyclohexanecarboxylic acid98-89-5100 % similar
Cyclopentanecarboxylic acid3400-45-194 % similar
Cyclobutanecarboxylic acid3721-95-784 % similar
2-Hexyldecanoic acid25354-97-675 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-774 % similar
1,4-Cyclohexanedicarboxylic acid619-81-874 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-974 % similar
1,3-Cyclohexanedicarboxylic acid3971-31-168 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds