trans-2-Phenylcyclopropanecarboxylic acid

C₁₀H₁₀O₂CAS 939-90-2162.19 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₀H₁₀O₂
Molar mass: 162.19 g/mol
Exact mass: 162.0681 Da
Melting point: 91 °C
Boiling point: 128 °C (at 0.18 Torr)
logP: 1.87Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

939-90-2

SMILES

O=C(O)[C@@H]1C[C@H]1c1ccccc1

InChIKey

AHDDRJBFJBDEPW-BRJQIKQINA-N

InChI

InChI=1/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/s2

Weigh it out

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Names and synonyms

7 names

Cyclopropanecarboxylic acid, 2-phenyl-, (1R,2R)-rel-
Cyclopropanecarboxylic acid, 2-phenyl-, trans-
Rel-(1R,2R)-2-Phenylcyclopropanecarboxylic acid
trans-2-Phenyl-1-cyclopropanecarboxylic acid
(±)-trans-2-Phenyl-1-cyclopropanecarboxylic acid
NSC 40846
trans-2-Phenylcyclopropane-1-carboxylic acid

Work with trans-2-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

Diphenylacetic acid117-34-057 % similar Phenylmalonic acid2613-89-057 % similar (3R)-3-Phenyl-L-proline118758-48-854 % similar (S)-Mandelic acid17199-29-053 % similar (-)-Mandelic acid611-71-253 % similar Mandelic acid90-64-253 % similar Tropic acid529-64-653 % similar α-Fluorobenzeneacetic acid1578-63-852 % 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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