Basic information
- CAS
80305-92-6- Standard SMILES
Nc1nc(O)c(Cc2ccc(C(=O)O)cc2)c(=O)[nH]1- InChIKey
WUQWKRUMGKYJAY-UHFFFAOYSA-N- Molecular formula
- C12H11N3O4
- Average molar mass
- 261.23 g/mol
- Monoisotopic mass
- 261.07495584
Names & identifiers
- Preferred name
- Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-
- IUPAC
- 4-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]benzoic acid
Names & synonyms
BRN 4701200BENZOIC ACID, 4-((2-AMINO-1,4-DIHYDRO-6-HYDROXY-4-OXO-5-PYRIMIDINYL)METHYL)-80305-92-64-((2-Amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)benzoic acidDTXSID10230235RefChem:327315DTXCID101527264-[(2-Amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]benzoic acid
Database identifiers
- CAS
80305-92-6- PubChem CID
- 54558
- DTXSID
DTXSID10230235
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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