Dimethyl 4-phenylcyclohexane-1,2-dicarboxylate
Basic information
- CAS
7504-80-5- Standard SMILES
COC(=O)C1CCC(c2ccccc2)CC1C(=O)OC- InChIKey
SNWDCSCONQXLQY-UHFFFAOYSA-N- Molecular formula
- C16H20O4
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.13615911
Names & identifiers
- Preferred name
- Dimethyl 4-phenylcyclohexane-1,2-dicarboxylate
- IUPAC
- dimethyl 4-phenylcyclohexane-1,2-dicarboxylate
Names & synonyms
dimethyl 4-phenylcyclohexane-1,2-dicarboxylateDTXSID403248737504-80-5RefChem:338622DTXCID20275990NSC407895SNWDCSCONQXLQY-UHFFFAOYSA-NNSC-407895Dimethyl 4-phenyl-1,2-cyclohexanedicarboxylate #1,2-Cyclohexanedicarboxylic acid, 4-phenyl-, dimethyl ester
Database identifiers
- CAS
7504-80-5- PubChem CID
- 348530
- DTXSID
DTXSID40324873
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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