5-Oxobicyclo[2.2.1]heptane-2,3-dicarboxylic acid

HCID 274451

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Basic information

CAS: 42392-43-8
Standard SMILES: O=C1CC2CC1C(C(=O)O)C2C(=O)O
InChIKey: WJAOMMCYWSWQJD-UHFFFAOYSA-N
Molecular formula: C9H10O5
Average molar mass: 198.17 g/mol
Monoisotopic mass: 198.05282342

Names & identifiers

Preferred name: 5-Oxobicyclo[2.2.1]heptane-2,3-dicarboxylic acid
IUPAC: 5-oxobicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Names & synonyms

5-Oxobicyclo[2.2.1]heptane-2,3-dicarboxylic acid90582-32-442392-43-8NSC167453MLS002707006rel-(1S,2S,3S,4S)-5-Oxobicyclo[2.2.1]heptane-2,3-dicarboxylic acidCHEMBL1871652DTXSID60298082QDA58232NSC120499AKOS005217711NSC-120499

Show more names

NSC-167453SMR001574402EN300-187296F512335-Oxobicyclo[2.2.1]heptane-2,3-dicarboxylicacid

Database identifiers

CAS: 42392-43-8
PubChem CID: 274451
DTXSID: DTXSID60298082
ChEMBL: CHEMBL1871652

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 91.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 321

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