Basic information
- CAS
78873-74-2- Standard SMILES
Cc1[nH]nc2oc(=O)c3ccccc3c12- InChIKey
UNIATRJVNFDJDH-UHFFFAOYSA-N- Molecular formula
- C11H8N2O2
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.0585775
Names & identifiers
- Preferred name
- 1-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-One
- IUPAC
- 1-methyl-2H-isochromeno[3,4-c]pyrazol-5-one
Names & synonyms
NSC3564761-Methyl[2]benzopyrano[3,4-C]pyrazol-5(3h)-OneCHEMBL393696778873-74-2DTXSID40320219BDBM50198449NSC-3564761-Methyl[2]benzopyrano[3,4-c]pyrazol-5(2H)-oneQ274563096BL
Database identifiers
- CAS
78873-74-2- PubChem CID
- 337656
- DTXSID
DTXSID40320219- ChEMBL
CHEMBL3936967
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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