Basic information
- CAS
116409-31-5- Standard SMILES
O=C(O)c1cccc2cc[nH]c(=O)c12- InChIKey
QBXCLJYVSNJXSS-UHFFFAOYSA-N- Molecular formula
- C10H7NO3
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.04259309
Names & identifiers
- Preferred name
- 1-Oxo-1,2-dihydroisoquinoline-8-carboxylic acid
- IUPAC
- 1-oxo-2H-isoquinoline-8-carboxylic acid
- English name
- 1-Hydroxyisoquinoline-8-carboxylic acid
- Molecular formula
- C10H7NO3
- Molecular weight
- 189.17
Names & synonyms
116409-31-51-Hydroxyisoquinoline-8-carboxylic acid1-oxo-1,2-dihydroisoquinoline-8-carboxylic acid1-oxo-2H-isoquinoline-8-carboxylic acid1-Hydroxyisoquinoline-8-carboxylicacid1-Oxo-1,2-dihydroisoquinoline-8-carboxylicacid8-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-MFCD22097493MFCD22380182NSC608555DTXSID20326678AB92274
Show more names
NSC-608555PS-18140DB-329010CS-0309803P18647
Database identifiers
- CAS
116409-31-5- PubChem CID
- 355244
- DTXSID
DTXSID20326678
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 317 · 317-318 °C
- Boiling point
- 535.9 · 535.9±50.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 3.57 · 3.57±0.20(Predicted)
- Appearance
- white to dark brown solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers8 total
Aladdin Scientific[email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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