Basic information
- CAS
29007-19-0- Standard SMILES
COc1cccc(C(=O)Oc2c([N+](=O)[O-])ccc3cccnc23)c1OC- InChIKey
PPOVROLFOSGGLR-UHFFFAOYSA-N- Molecular formula
- C18H14N2O6
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 354.08518617
Names & identifiers
- Preferred name
- o-Veratric acid, 7-nitro-8-quinolyl ester
- IUPAC
- (7-nitroquinolin-8-yl) 2,3-dimethoxybenzoate
- English name
- 2,3-Dimethoxybenzoic acid 7-nitro-8-quinolyl ester
- Molecular weight
- 0
Names & synonyms
o-Veratric acid, 7-nitro-8-quinolyl ester29007-19-0BRN 15536528-Quinolinol, 7-nitro-, o-veratrateBenzoic acid, 2,3-dimethoxy-, 7-nitro-8-quinolinyl esterDTXSID30183239RefChem:366588DTXCID901057307-nitroquinolin-8-yl 2,3-dimethoxybenzoate2,3-Dimethoxybenzoic acid 7-nitro-8-quinolyl ester
Database identifiers
- CAS
29007-19-0- PubChem CID
- 206995
- DTXSID
DTXSID30183239- Nikkaji
- J96.724F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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