Basic information
- CAS
16665-71-7- Standard SMILES
CC1=CC[C@@H](C(=O)O)[C@H](C(=O)O)C1- InChIKey
YZPUIHVHPSUCHD-RNFRBKRXSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- (1R,2R)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid
- IUPAC
- (1R,2R)-4-methylcyclohex-4-ene-1,2-dicarboxylic acid
- English name
- 4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, (1R,2R)-(-)- (8CI)
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
16665-71-7(1R,2R)-4-methylcyclohex-4-ene-1,2-dicarboxylic acidAC1LG1TJ4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, (1R,2R)-(-)- (8CI)SCHEMBL1751002DTXSID703549464-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, (1R,2R)-
Database identifiers
- CAS
16665-71-7- PubChem CID
- 787403
- DTXSID
DTXSID70354946
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 146 · 146-149 °C
- Boiling point
- 392.8 · 392.8±42.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- pka
- 4.3 · 4.30±0.60(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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