Basic information
- CAS
70033-59-9- Standard SMILES
Cn1cc(O)c(=O)cc1CO- InChIKey
XATJWQRIODISIG-UHFFFAOYSA-N- Molecular formula
- C7H9NO3
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.05824315
Overview
structure in first source
Names & identifiers
- Preferred name
- 5-Hydroxy-2-hydroxymethyl-1-methylpyrid-4-one
- IUPAC
- 5-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one
- English name
- 4(1H)-Pyridinone, 5-hydroxy-2-(hydroxymethyl)-1-methyl- (9CI)
- Molecular formula
- C7H9NO3
- Molecular weight
- 155.15
Names & synonyms
70033-59-9HHMMPO5-Hydroxy-2-hydroxymethyl-1-methylpyrid-4-oneDTXSID10220318RefChem:102755DTXCID101428095-Hydroxy-2-(hydroxymethyl)-1-methylpyridin-4(1H)-one5-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one4(1H)-Pyridinone, 5-hydroxy-2-(hydroxymethyl)-1-methyl-CHEMBL4552510SCHEMBL7931821XATJWQRIODISIG-UHFFFAOYSA-N
Show more names
4(1H)-Pyridinone, 5-hydroxy-2-(hydroxymethyl)-1-methyl- (9CI)
BDBM50536107DB-2720266-hydroxymethyl-3-hydroxy-1-methyl-4-pyridinone
Database identifiers
- CAS
70033-59-9- PubChem CID
- 129682
- DTXSID
DTXSID10220318- ChEMBL
CHEMBL4552510- Nikkaji
- J1.209.063C
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 242
Chemistry & industry
Suppliers1 total
常州翔龙医药科技有限公司18661161657 · [email protected]
Related reactions
2 records
Compound notes
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