Basic information
- CAS
76731-20-9- Standard SMILES
O=C(O)C1(C(=O)O)CC(C2CCC2)C1- InChIKey
FAUGZZJXHWYJPE-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- [1,1'-Bi(cyclobutane)]-3,3-dicarboxylic acid
- IUPAC
- 3-cyclobutylcyclobutane-1,1-dicarboxylic acid
Names & synonyms
SCHEMBL11460947DTXSID20127206676731-20-9[1,1'-Bi(cyclobutane)]-3,3-dicarboxylic acid[1,1a(2)-Bicyclobutyl]-3,3-dicarboxylic acid
Database identifiers
- CAS
76731-20-9- PubChem CID
- 23344490
- DTXSID
DTXSID201272066
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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