Basic information
- CAS
885519-81-3- Standard SMILES
O=Cc1cccc2[nH]nc(C=O)c12- InChIKey
PAMRARKANQZYSJ-UHFFFAOYSA-N- Molecular formula
- C9H6N2O2
- Average molar mass
- 174.16 g/mol
Names & identifiers
- Preferred name
- 1H-Indazole-3,4-dicarboxaldehyde
- IUPAC
- 2H-indazole-3,4-dicarbaldehyde
- English name
- 1H-INDAZOLE-3,4-DICARBOXALDEHYDE
- Molecular formula
- C9H6N2O2
- Molecular weight
- 174.16
Names & synonyms
1H-Indazole-3,4-dicarboxaldehyde1h-indazole-3,4-dicarbaldehyde885519-81-32H-indazole-3,4-dicarbaldehydeSCHEMBL3535995SCHEMBL29955303PAMRARKANQZYSJ-UHFFFAOYSA-NAKOS006285679DB-077936
Database identifiers
- CAS
885519-81-3
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 439.3 · 439.3±25.0 °C(Predicted)
- Density
- 1.47 · 1.470±0.06 g/cm3(Predicted)
- pka
- 10.53 · 10.53±0.40(Predicted)
Chemistry & industry
Suppliers2 total
南京凯姆铂医药科技有限公司025-66162170
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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