1-Propyl-1h-indazole-3-carboxylic acid
Basic information
- CAS
173600-09-4- Standard SMILES
CCCn1nc(C(=O)O)c2ccccc21- InChIKey
SRLYWTDJCHALPO-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 1-Propyl-1h-indazole-3-carboxylic acid
- IUPAC
- 1-propylindazole-3-carboxylic acid
Names & synonyms
1-propyl-1h-indazole-3-carboxylic acid173600-09-4SCHEMBL3017718SRLYWTDJCHALPO-UHFFFAOYSA-NDTXSID0012847621-n-Propylindazole-3-carboxylic acid1-propyl-1h-indazole-3-carboxylicacidAKOS012406720
Database identifiers
- CAS
173600-09-4- PubChem CID
- 10632011
- DTXSID
DTXSID001284762
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
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Related reactions
2 records
Compound notes
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