1-(p-Methylbenzyl)cyclopropanecarboxylic acid
Basic information
- CAS
1804-28-0- Standard SMILES
Cc1ccc(CC2(C(=O)O)CC2)cc1- InChIKey
HJWBQCOOUNIZPR-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 1-(p-Methylbenzyl)cyclopropanecarboxylic acid
- IUPAC
- 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
- English name
- 1-(p-methylbenzyl)cyclopropanecarboxylic acid
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
1-(p-Methylbenzyl)cyclopropanecarboxylic acid1804-28-01-[(4-methylphenyl)methyl]cyclopropane-1-carboxylic acid1-[(4-Methylphenyl)methyl]cyclopropanecarboxylic acidEINECS 217-294-37GP6CV9FP2SCHEMBL12027333Cyclopropanecarboxylic acid, 1-[(4-methylphenyl)methyl]-DTXSID00170959HJWBQCOOUNIZPR-UHFFFAOYSA-NMFCD11848884AKOS014312077
Show more names
1-(4-methylbenzyl)cyclopropanecarboxylic acid
NS000259361-(4-methylbenzyl)cyclopropane-1-carboxylic acid
Database identifiers
- CAS
1804-28-0- PubChem CID
- 74541
- DTXSID
DTXSID00170959- UNII
- 7GP6CV9FP2
- EC Number
- 217-294-3
- Nikkaji
- J199.626F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 110 · 110-111 °C
- Boiling point
- 330 · 330.0±11.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 4.66 · 4.66±0.20(Predicted)
Chemistry & industry
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