Basic information
- CAS
5346-13-4- Standard SMILES
CC1=CC(C)C(C(=O)O)C(C(=O)O)C1- InChIKey
ZSVDBGWHEBFPNB-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- 3,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid
- IUPAC
- 3,5-dimethylcyclohex-4-ene-1,2-dicarboxylic acid
Names & synonyms
3,5-dimethylcyclohex-4-ene-1,2-dicarboxylic acid5346-13-4DTXSID10277347RefChem:271953DTXCID002285052,4-dimethylcyclohex-3-ene-1,6-dicarboxylic acid3,5-Dimethyl-4-cyclohexene-1,2-dicarboxylic acid3,2-DICARBOXYLIC ACIDNSC1791Enamine_001017MLS000106142CHEMBL1518628
Show more names
SCHEMBL10708498ZSVDBGWHEBFPNB-UHFFFAOYSA-NHMS1396O05HMS2443G10NSC-1791MFCD00465692STK059835AKOS001026384
Database identifiers
- CAS
5346-13-4- PubChem CID
- 219945
- DTXSID
DTXSID10277347- ChEMBL
CHEMBL1518628
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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