Basic information
- CAS
1506-67-8- Standard SMILES
Cc1oc(CO)cc(=O)c1O- InChIKey
SMOQZWPZQZGNRU-UHFFFAOYSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.04225874
Names & identifiers
- Preferred name
- 6-Methylkojic acid
- IUPAC
- 3-hydroxy-6-(hydroxymethyl)-2-methylpyran-4-one
Names & synonyms
4H-Pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-methyl-1506-67-86-Methylkojic acidSR14DL0UP5UNII-SR14DL0UP5NSC 118844NSC-1188443-hydroxy-6-(hydroxymethyl)-2-methyl-4h-pyran-4-oneDTXSID10164581RefChem:199111DTXCID00870723-hydroxy-6-(hydroxymethyl)-2-methylpyran-4-one
Show more names
NSC118844SCHEMBL3555239SMOQZWPZQZGNRU-UHFFFAOYSA-N6-Methyl-5-hydroxy-2-hydroxymethyl-4-pyrone
Database identifiers
- CAS
1506-67-8- PubChem CID
- 97371
- DTXSID
DTXSID10164581- UNII
- SR14DL0UP5
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 249
Related reactions
2 records
Compound notes
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