Basic information
- CAS
30081-72-2- Standard SMILES
O=c1[nH]cc(O)c2ccccc12- InChIKey
KOJRWXLHYKLCFJ-UHFFFAOYSA-N- Molecular formula
- C9H7NO2
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.04767847
Names & identifiers
- Preferred name
- 4-Hydroxyisoquinolin-1(2h)-one
- IUPAC
- 4-hydroxy-2H-isoquinolin-1-one
- English name
- 4-hydroxy-2H-isoquinolin-1-one
- Molecular formula
- C9H7NO2
- Molecular weight
- 161.16
Names & synonyms
4-hydroxyisoquinolin-1(2h)-one30081-72-24-hydroxy-2H-isoquinolin-1-one4-hydroxy-1(2H)-Isoquinolinone1,4-IsoquinolinediolMFCD010137854-hydroxy-1,2-dihydroisoquinolin-1-one4-hydroxyisocarbostyrilisoquinoline-1,4-diol4-oxidanyl-2~{H}-isoquinolin-1-one1,4-Dihydroxyisoquinoline1(2H)-Isoquinolinone,4-hydroxy-
Show more names
NSC 67757NSC 28792
NSC677571(2H)-Isoquinolinone, 4-hydroxy-isoquinoline 1,4-diol4 -hydroxyisocarbostyrilSCHEMBL1264071SCHEMBL10642216SCHEMBL30723280SCHEMBL31160182
Database identifiers
- CAS
30081-72-2- PubChem CID
- 231920
- DTXSID
DTXSID40282924
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 440.1 · 440.1±45.0 °C(Predicted)
- Density
- 1.376 · 1.376
- storage temp.
- 2 · 2-8°C
- pka
- 10.37 · 10.37±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-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
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers27 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海安米克化学品有限公司
Related reactions
1 records
Compound notes
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