Basic information
- CAS
32431-29-1- Standard SMILES
COc1ccc2[nH]c(=O)cc(C(=O)O)c2c1- InChIKey
ATQXNYQCZFMIKY-UHFFFAOYSA-N- Molecular formula
- C11H9NO4
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.05315777
Names & identifiers
- Preferred name
- 2-Hydroxy-6-methoxy-quinoline-4-carboxylic acid
- IUPAC
- 6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
- English name
- 2-Hydroxy-6-methoxy-quinoline-4-carboxylic acid
- Molecular formula
- C11H9NO4
- Molecular weight
- 219.19
Names & synonyms
32431-29-12-Hydroxy-6-methoxy-quinoline-4-carboxylic acidDTXSID30346524RefChem:261778DTXCID202975962-hydroxy-6-methoxyquinoline-4-carboxylic acid6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid6-methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylic acidOprea1_538599MLS000714657CHEMBL1348104SCHEMBL15798322
Show more names
SCHEMBL289827384-Quinolinecarboxylic acid, 1,2-dihydro-6-methoxy-2-oxo-ATQXNYQCZFMIKY-UHFFFAOYSA-NHMS1680B15HMS2682M15AKOS000507717AKOS016025443CCG-123396
Database identifiers
- CAS
32431-29-1- PubChem CID
- 613010
- DTXSID
DTXSID30346524- ChEMBL
CHEMBL1348104- Nikkaji
- J1.399.081F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 326 °C · 326 °C (decomp)(Solv: acetic acid (64-19-7))
- Boiling point
- 445 · 445.0±45.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.52 · 2.52±0.20(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
- Hazard statements
- 314 · H314
- Precautionary statements
- 264 b-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403-P501c · P264b-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403-P501c
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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)
- GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H314
- Precautionary statements
- P264b-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403-P501c
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
宁波振岳医药科技有限公司19817745290 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
石家庄靖康科技有限公司13933818572 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
济南药研药物化学有限公司[email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…