1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Basic information
- CAS
56875-76-4- Standard SMILES
CCCCn1c(=O)cc(C(=O)O)[nH]c1=O- InChIKey
BWEWKWLVCWDTLP-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.07970687
Names & identifiers
- Preferred name
- 1-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
- IUPAC
- 3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Names & synonyms
56875-76-41-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acidNSC232467DTXSID20310830NSC-232467
Database identifiers
- CAS
56875-76-4- PubChem CID
- 314550
- DTXSID
DTXSID20310830
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 335
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Compound notes
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