(1,4-Dimethyl-6-oxo-1,6-dihydropyrano[2,3-c]pyrazol-3-yl)acetic acid
Basic information
- CAS
88550-18-9- Standard SMILES
Cc1cc(=O)oc2c1c(CC(=O)O)nn2C- InChIKey
PGSPUGJXCAWALS-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Names & identifiers
- Preferred name
- (1,4-Dimethyl-6-oxo-1,6-dihydropyrano[2,3-c]pyrazol-3-yl)acetic acid
- IUPAC
- 2-(1,4-dimethyl-6-oxopyrano[3,2-d]pyrazol-3-yl)acetic acid
Names & synonyms
88550-18-9CHEMBL150018DTXSID80658487(1,4-Dimethyl-6-oxo-1,6-dihydropyrano[2,3-c]pyrazol-3-yl)acetic acid
Database identifiers
- CAS
88550-18-9- PubChem CID
- 44367186
- DTXSID
DTXSID80658487- ChEMBL
CHEMBL150018
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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