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Basic information
- CAS
2929-14-8- Standard SMILES
COc1cccc2c(=O)cc(C(=O)O)[nH]c12- InChIKey
BXZSKDOPGDPDEG-UHFFFAOYSA-N- Molecular formula
- C11H9NO4
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.05315777
Names & identifiers
- Preferred name
- 4-Hydroxy-8-methoxy-2-quinolinecarboxylic acid
- IUPAC
- 8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
- English name
- xanthurenic acid 8-methyl ether
- Molecular formula
- C11H9NO4
- Molecular weight
- 219.19
Names & synonyms
2929-14-8Xanthurenic acid 8-methyl ether8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid8-Methyl ether of xanthurenic acid8-Methoxy-4-hydroxyquinoline-2-carboxylic acid92U92J5X9A8-methoxyxanthurenic acid4-Hydroxy-8-methoxy-2-quinolinecarboxylic acidDTXSID20183541RefChem:902267DTXCID601060324-hydroxy-8-methoxyquinoline-2-carboxylic acid
Show more names
4-HYDROXY-8-METHOXY-QUINOLINE-2-CARBOXYLIC ACID2-Quinolinecarboxylic acid, 4-hydroxy-8-methoxy-
93445-77-38-Methoxykynurenate8-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid4-Hydroxy-8-methoxyquinaldic acid8-methoxykynurenic acidXanthurenic acid-8-methyl ether8-Methoxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acidQuinaldic acid, 4-hydroxy-8-methoxy-
Database identifiers
- CAS
2929-14-8- PubChem CID
- 76230
- DTXSID
DTXSID20183541- ChEBI
CHEBI:2323
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 240.5 °C · 240.5°C
- Boiling point
- 360 °C · 360°C (rough estimate)
- Density
- 1.3219 · 1.3219 (rough estimate)
- refractive index
- 1.495 · 1.4950 (estimate)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Light yellow to yellow Solid
- FDA UNII
- 92 U92J5X9A · 92U92J5X9A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
- H319-H302-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers5 total
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
上海科亩库科技开发有限公司13180083159 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: A quinolinemonocarboxylic acid that is kynurenic acid which is substituted by a methoxy group at position 8.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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