Basic information
- CAS
116409-35-9- Standard SMILES
Cc1cccc2cc[nH]c(=O)c12- InChIKey
WXJVQHWAFBGNLS-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 8-methylisoquinolin-1(2H)-one
- IUPAC
- 8-methyl-2H-isoquinolin-1-one
- English name
- 8-methylisoquinolin-1-ol
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
8-methylisoquinolin-1(2H)-one116409-35-9DTXSID60326677RefChem:312206DTXCID002777908-methyl-2H-isoquinolin-1-one8-methyl-1,2-dihydroisoquinolin-1-oneNSC608554SCHEMBL168637SCHEMBL12055262WXJVQHWAFBGNLS-UHFFFAOYSA-NNSC-608554
Show more names
8-methylisoquinolin-1-ol8-methyl-1(2H)-Isoquinolinone1(2H)-Isoquinolinone, 8-methyl-
DA-35427EN300-397607
Database identifiers
- CAS
116409-35-9- PubChem CID
- 355243
- DTXSID
DTXSID60326677- Nikkaji
- J2.333.873D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Chemistry & industry
Suppliers5 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
武汉千恒瑞泰生物医药科技有限公司15610156652 · [email protected]
成都市汇成亨科技有限公司13521208972 639436996; 13521208972 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
3 records
Compound notes
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