Basic information
- CAS
103368-22-5- Standard SMILES
COc1ccc2c(ccc(=O)n2CC(=O)O)c1- InChIKey
CHNXZDVEGNIZLG-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- 6-Methoxy-2-oxo-1,2-dihydro-1-quinolineacetic acid
- IUPAC
- 2-(6-methoxy-2-oxoquinolin-1-yl)acetic acid
Names & synonyms
CHEMBL305164103368-22-56-Methoxy-2-oxo-1(2H)-quinolineacetic acid6-methoxy-2-oxo-1,2-dihydro-1-quinolineacetic acid(6-Methoxy-2-oxo-2H-quinolin-1-yl)-acetic acid8B85TLA2G2SCHEMBL8368861DTXSID801266508BDBM50022249PD1781122-(6-methoxy-2-oxoquinolin-1-yl)acetic acid(6-Methoxy-2-oxoquinolin-1(2H)-yl)acetic acid
Show more names
1(2H)-Quinolineacetic acid, 6-methoxy-2-oxo-2-(6-Methoxy-2-oxo-1,2-dihydroquinolin-1-yl)acetic acid
Database identifiers
- CAS
103368-22-5- PubChem CID
- 13683078
- DTXSID
DTXSID801266508- ChEMBL
CHEMBL305164- UNII
- 8B85TLA2G2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…