4-[(2,5-Dimethyl-1,3-oxazol-4-yl)methyl]benzene-1,2-diol
Basic information
- CAS
501005-99-8- Standard SMILES
Cc1nc(Cc2ccc(O)c(O)c2)c(C)o1- InChIKey
FGYFXRPLVVPKRH-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- 4-[(2,5-Dimethyl-1,3-oxazol-4-yl)methyl]benzene-1,2-diol
- IUPAC
- 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]benzene-1,2-diol
- English name
- 1,2-Benzenediol, 4-[(2,5-dimethyl-4-oxazolyl)methyl]- (9CI)
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
NSC2806424-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]benzene-1,2-diol501005-99-84-[(2,5-Dimethyl-4-oxazolyl)methyl]-1,2-benzenediolDTXSID101225886NSC-2806424-[(2,5-dimethyloxazol-4-yl)methyl]benzene-1,2-diol1,2-Benzenediol, 4-[(2,5-dimethyl-4-oxazolyl)methyl]-1,2-Benzenediol, 4-[(2,5-dimethyl-4-oxazolyl)methyl]- (9CI)
Database identifiers
- CAS
501005-99-8- PubChem CID
- 322572
- DTXSID
DTXSID101225886
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 395.1 · 395.1±37.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 9.59 · 9.59±0.10(Predicted)
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Compound notes
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