1-(2-Hydroxyethyl)-3,4-dimethylpyrano[2,3-C]pyrazol-6(1H)-one
Basic information
- CAS
67056-25-1- Standard SMILES
Cc1cc(=O)oc2c1c(C)nn2CCO- InChIKey
SJBONIGCGWTTJS-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479225
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethyl)-3,4-dimethylpyrano[2,3-C]pyrazol-6(1H)-one
- IUPAC
- 1-(2-hydroxyethyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
- English name
- CHEMBRDG-BB 6799544
- Molecular formula
- C10H12N2O3
- Molecular weight
- 208.21
Names & synonyms
67056-25-11-(2-HYDROXYETHYL)-3,4-DIMETHYLPYRANO[2,3-C]PYRAZOL-6(1H)-ONEMFCD031435571-(2-hydroxyethyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6-oneNSC382344CHEMBL149853SCHEMBL9583998DTXSID00321863HMS1588A091-(beta-hydroxyethyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6-oneAKOS006340213NSC-382344
Show more names
CHEMBRDG-BB 6799544Pyrano[2，3-c]pyrazol-6(1H)-one， 1-(2-hydroxyethyl)-3，4-dimethyl-1-(2-hydroxyethyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one(SALTDATA: FREE)
BS-36353DB-179889F315191SR-01000243474SR-01000243474-11-(2-hydroxyethyl)-3,4-dimethyl-pyrano[2,3-c]pyrazol-6-one
Database identifiers
- CAS
67056-25-1- PubChem CID
- 343233
- DTXSID
DTXSID00321863- ChEMBL
CHEMBL149853
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 158 °C · 158 °C
- Boiling point
- 430 · 430.0±45.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 14.23 · 14.23±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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