1-Methylcyclohex-2-ene-1,2-dicarboxylic acid
Basic information
- CAS
6321-87-5- Standard SMILES
CC1(C(=O)O)CCCC=C1C(=O)O- InChIKey
PCVSTKYNEXPKMI-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Names & identifiers
- Preferred name
- 1-Methylcyclohex-2-ene-1,2-dicarboxylic acid
- IUPAC
- 1-methylcyclohex-2-ene-1,2-dicarboxylic acid
Names & synonyms
6321-87-51-methylcyclohex-2-ene-1,2-dicarboxylic acidNSC30860DTXSID00283311NSC-30860
Database identifiers
- CAS
6321-87-5- PubChem CID
- 232889
- DTXSID
DTXSID00283311- Nikkaji
- J169.055H
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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