Basic information
- CAS
1150618-25-9- Standard SMILES
O=c1[nH]ccc2cc(CO)ccc12- InChIKey
FKFXUWDUOXXNQC-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 6-(hydroxymethyl)isoquinolin-1(2H)-one
- IUPAC
- 6-(hydroxymethyl)-2H-isoquinolin-1-one
Names & synonyms
6-(hydroxymethyl)isoquinolin-1(2H)-one1150618-25-96-(hydroxymethyl)-2H-isoquinolin-1-oneSCHEMBL12708306SCHEMBL14924142DTXSID80653977MFCD12024487AKOS0159193906-(Hydroxymethyl)-1(2H)-isoquinolinoneSY292023DB-296355
Database identifiers
- CAS
1150618-25-9- PubChem CID
- 40152051
- DTXSID
DTXSID80653977
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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