2-Methylcyclohex-3-ene-1-carboxylic acid
Basic information
- CAS
4736-19-0- Standard SMILES
CC1C=CCCC1C(=O)O- InChIKey
YEOSVLLFIBOGLI-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- 2-Methylcyclohex-3-ene-1-carboxylic acid
- IUPAC
- 2-methylcyclohex-3-ene-1-carboxylic acid
- English name
- 2-Methyl-3-cyclohexene-1-carboxylic acid
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
2-methylcyclohex-3-ene-1-carboxylic acid4736-19-0DTXSID70963815RefChem:1063803DTXCID9013915462-Methylcyclohex-3-enecarboxylic acid3-Cyclohexene-1-carboxylic acid, 2-methyl-tetrahydrotoluic acid2-Methyl-3-cyclohexene-1-carboxylic acidSCHEMBL18952428SCHEMBL28525439AKOS006375851
Database identifiers
- CAS
4736-19-0- PubChem CID
- 199676
- DTXSID
DTXSID70963815- Nikkaji
- J48.232C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 137 · 137-138 °C(Press: 20 Torr)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- pka
- 4.69 · 4.69±0.40(Predicted)
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Related reactions
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Compound notes
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