3-phenyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
Basic information
- CAS
1338247-34-9- Standard SMILES
O=C(O)C1CCc2c(-c3ccccc3)n[nH]c2C1- InChIKey
QHSXBLUDFPBFTM-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
- IUPAC
- 3-phenyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
- English name
- 3-phenyl-4,5,6,7-tetrahydro-1H-indazol-6-carboxylic acid
- Molecular formula
- C14H14N2O2
- Molecular weight
- 242.27
Names & synonyms
4,5,6,7-Tetrahydro-3-phenyl-1H-indazol-6-carboxylic acid3-phenyl-4,5,6,7-tetrahydro-1H-indazol-6-carboxylic acid4,5,6,7-Tetrahydro-3-phenyl-1H-indazole-6-carboxylic acid1H-Indazole-6-carboxylic acid, 4,5,6,7-tetrahydro-3-phenyl-
Database identifiers
- CAS
1338247-34-9- PubChem CID
- 73357552
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 556.7 · 556.7±50.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 4.48 · 4.48±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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