3-(3-Methylquinoxalin-2-yl)propanoic acid
Basic information
- CAS
1501-00-4- Standard SMILES
Cc1nc2ccccc2nc1CCC(=O)O- InChIKey
LHYSVUPJHRIDPD-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 3-(3-Methylquinoxalin-2-yl)propanoic acid
- IUPAC
- 3-(3-methylquinoxalin-2-yl)propanoic acid
Names & synonyms
3-(3-methylquinoxalin-2-yl)propanoic acid1501-00-4NSC868913-(3-methyl-quinoxalin-2-yl)-propionic acidSCHEMBL7450221DTXSID90293025LHYSVUPJHRIDPD-UHFFFAOYSA-NNSC-86891DB-356419
Database identifiers
- CAS
1501-00-4- PubChem CID
- 258141
- DTXSID
DTXSID90293025
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
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Related reactions
1 records
Compound notes
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