Basic information
- CAS
876-19-7- Standard SMILES
O=C([O-])C(O)C[n+]1cc[nH]c1- InChIKey
JTYMXXCJQKGGFG-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.05349212
Overview
See also: Imidazolelactic acid (preferred).
Names & identifiers
- Preferred name
- 2-hydroxy-3-(1H-imidazol-3-ium-3-yl)propanoate
- IUPAC
- 2-hydroxy-3-(1H-imidazol-3-ium-3-yl)propanoate
Names & synonyms
SCHEMBL28559243
Database identifiers
- CAS
876-19-7- PubChem CID
- 175118032
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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