Basic information
- CAS
1190392-09-6- Standard SMILES
CC(C(=O)O)n1cnccc1=O- InChIKey
QJUVFOHCEISRRU-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- 2-[6-oxopyrimidin-1(6H)-yl]propanoic acid
- IUPAC
- 2-(6-oxopyrimidin-1-yl)propanoic acid
Names & synonyms
1190392-09-62-[6-oxopyrimidin-1(6H)-yl]propanoic acid2-(6-oxopyrimidin-1(6H)-yl)propanoic acidSCHEMBL1727253QJUVFOHCEISRRU-UHFFFAOYSA-NDTXSID301264571AKOS013080645DA-14802I+/--Methyl-6-oxo-1(6H)-pyrimidineacetic acid2-(6-oxo-1,6-dihydropyrimidin-1-yl)propanoic acidF6546-1919
Database identifiers
- CAS
1190392-09-6- PubChem CID
- 57907481
- DTXSID
DTXSID301264571
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 270
Related reactions
5 records
Compound notes
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