chempirical

Perillic acid

C10H14O2CAS 7694-45-3166.22 g/mol

Open in Covalent MOL file
OOH
AlkeneCarboxylic acid

Properties

Molecular formula
C10H14O2
Molar mass
166.22 g/mol
Exact mass
166.0994 Da
Melting point
130–131 °C
Boiling point
164–165 °C (at 10 Torr)
logP
2.37Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
7694-45-3
SMILES
C=C(C)C1CC=C(C(=O)O)CC1
InChIKey
CDSMSBUVCWHORP-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)

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

Names and synonyms

6 names
  • 1-Cyclohexene-1-carboxylic acid, 4-(1-methylethenyl)-
  • 1-Cyclohexene-1-carboxylic acid, 4-isopropenyl-
  • 4-(1-Methylethenyl)-1-cyclohexene-1-carboxylic acid
  • 4-Isopropenyl-1-cyclohexene-1-carboxylic acid
  • (±)-Perrillic acid
  • 4-(Prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid

Work with Perillic 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

Similar compounds

Limonene138-86-354 % similar (+)-Limonene5989-27-554 % similar (S)-Limonene5989-54-854 % similar Limonene7705-14-854 % similar Perillaldehyde18031-40-853 % similar (-)-Perillyl alcohol18457-55-153 % similar Perillaldehyde2111-75-353 % similar Perillyl alcohol536-59-453 % similar

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

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 (-)-Camphorquinone10334-26-6 Camphorquinone10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3A(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8

Elsewhere

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