Propane-1,1,2-tricarboxylic acid
Basic information
- CAS
61713-72-2- Standard SMILES
CC(C(=O)O)C(C(=O)O)C(=O)O- InChIKey
PCOWRECNVZIBKD-UHFFFAOYSA-N- Molecular formula
- C6H8O6
- Average molar mass
- 176.12 g/mol
- Monoisotopic mass
- 176.03208797
Names & identifiers
- Preferred name
- Propane-1,1,2-tricarboxylic acid
- IUPAC
- propane-1,1,2-tricarboxylic acid
Names & synonyms
61713-72-2propane-1,1,2-tricarboxylic acidNSC2279001,2-Propanetricarboxylic acidSCHEMBL991652SCHEMBL6302530DTXSID30310503NSC-227900
Database identifiers
- CAS
61713-72-2- PubChem CID
- 313500
- DTXSID
DTXSID30310503
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 206
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Related reactions
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Compound notes
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