Basic information
- CAS
6342-52-5- Standard SMILES
COC(OC)c1nc2ccccc2c(C(=O)O)c1C- InChIKey
VOIQBDVXRGVEMS-UHFFFAOYSA-N- Molecular formula
- C14H15NO4
- Average molar mass
- 261.27 g/mol
- Monoisotopic mass
- 261.10010796
Names & identifiers
- Preferred name
- 2-(Dimethoxymethyl)-3-methylquinoline-4-carboxylic acid
- IUPAC
- 2-(dimethoxymethyl)-3-methylquinoline-4-carboxylic acid
Names & synonyms
2-(dimethoxymethyl)-3-methylquinoline-4-carboxylic acid6342-52-5NSC50123DTXSID30287281NSC-50123AKOS002284913ST50807345
Database identifiers
- CAS
6342-52-5- PubChem CID
- 242017
- DTXSID
DTXSID30287281
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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