4-(4-Methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)butanoic acid
Basic information
- CAS
1501-34-4- Standard SMILES
Cn1c(=O)c(CCCC(=O)O)nc2ccccc21- InChIKey
TYPMCOYDZFBCLL-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 4-(4-Methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)butanoic acid
- IUPAC
- 4-(4-methyl-3-oxoquinoxalin-2-yl)butanoic acid
Names & synonyms
1501-34-4NSC266127DTXSID303130594-(4-Methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)butanoic acidNSC-266127
Database identifiers
- CAS
1501-34-4- PubChem CID
- 319975
- DTXSID
DTXSID30313059
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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