chempirical

1-Phenylcyclopropanecarboxylic acid

C10H10O2CAS 6120-95-2162.19 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Melting point
84.8–86.1 °C
logP
1.80Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
6120-95-2
SMILES
O=C(O)C1(c2ccccc2)CC1
InChIKey
IWWCCNVRNHTGLV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)

Weigh it out

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

Names and synonyms

4 names
  • Cyclopropanecarboxylic acid, 1-phenyl-
  • 1-Phenyl-1-cyclopropanecarboxylic acid
  • NSC 154619
  • 1-Phenylcyclopropylcarboxylic acid

Work with 1-Phenylcyclopropanecarboxylic 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

1-Phenylcyclopentanecarboxylic acid77-55-485 % similar 1-Phenylcyclohexanecarboxylic acid1135-67-781 % similar 4-Phenyl-4-piperidinecarboxylic acid3627-45-076 % similar 2-Ethyl-2-phenylbutyric acid5465-28-169 % similar 1-(4-Chlorophenyl)cyclopropanecarboxylic acid72934-37-369 % similar 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-161 % similar 1-(4-Chlorophenyl)cyclobutanecarboxylic acid50921-39-659 % similar Triphenylacetic acid595-91-559 % similar

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

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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