Methyl 6-acetylquinoline-3-carboxylate
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Basic information
- CAS
1956318-19-6- Standard SMILES
COC(=O)c1cnc2ccc(C(C)=O)cc2c1- InChIKey
LOGQOLSIXJZVDZ-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
Names & identifiers
- Preferred name
- Methyl 6-acetylquinoline-3-carboxylate
- IUPAC
- methyl 6-acetylquinoline-3-carboxylate
- English name
- methyl 6-acetylquinoline-3-carboxylate
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23134
Names & synonyms
Methyl 6-acetylquinoline-3-carboxylate1956318-19-6MFCD28976055Methyl6-acetylquinoline-3-carboxylateAKOS027336720SB72108AS-49601CS-0196941K10014F501688
Database identifiers
- CAS
1956318-19-6
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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