Basic information
- Standard SMILES
COC(=O)C1=CCC(C)=C(C)C1C(=O)OC- InChIKey
ARSPNCSWTJYCKM-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
Names & identifiers
- Preferred name
- 5,6 Dimethyl-1,4-dihydro-phthalic acid dimethyl ester
- IUPAC
- dimethyl 5,6-dimethylcyclohexa-2,5-diene-1,2-dicarboxylate
Names & synonyms
ARSPNCSWTJYCKM-UHFFFAOYSA-N5,6 dimethyl-1,4-dihydro-phthalic acid dimethyl ester5,6-dimethyl-1,4-dihydro-phthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 53658743
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 376
Related reactions
2 records
Compound notes
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