2-Phenylcyclobutane-1,1-dicarboxylic acid
Basic information
- CAS
91963-65-4- Standard SMILES
O=C(O)C1(C(=O)O)CCC1c1ccccc1- InChIKey
XUUXKHXLMLVJJP-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- 2-Phenylcyclobutane-1,1-dicarboxylic acid
- IUPAC
- 2-phenylcyclobutane-1,1-dicarboxylic acid
Names & synonyms
91963-65-42-phenyl-1,1-cyclobutanedicarboxylic acidNSC 1398742-phenylcyclobutane-1,1-dicarboxylic acidNSC1398741,1-Cyclobutanedicarboxylicacid, 2-phenyl-Oprea1_658789DTXSID80300898AKOS030260879NSC-139874DS-008155AG-826/13532014
Database identifiers
- CAS
91963-65-4- PubChem CID
- 284145
- DTXSID
DTXSID80300898
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…