Basic information
- CAS
55724-14-6- Standard SMILES
O=C(O)C12CC3CC(C1)C(=O)C(C(=O)O)(C3)C2- InChIKey
XVDQHJQTMZMFCN-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412354
Names & identifiers
- Preferred name
- 4-Oxoadamantane-1,3-dicarboxylic acid
- IUPAC
- 4-oxoadamantane-1,3-dicarboxylic acid
- English name
- 4-Oxotricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid
- Molecular weight
- 0
Names & synonyms
4-oxoadamantane-1,3-dicarboxylic acidDTXSID4034146955724-14-6RefChem:295268DTXCID10292550XVDQHJQTMZMFCN-UHFFFAOYSA-N4-Oxo-1,3-adamantanedicarboxylic acid #Tricyclo[3.3.1.1(3,7)]decane-1,3-dicarboxylic acid, 4-oxo-4-Oxotricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid
Database identifiers
- CAS
55724-14-6- PubChem CID
- 573286
- DTXSID
DTXSID40341469
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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