5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid
Basic information
- CAS
765878-70-4- Standard SMILES
NC1(C(=O)O)CCc2[nH][nH]c(=O)c2C1- InChIKey
ASZFGDUKSVIZTP-UHFFFAOYSA-N- Molecular formula
- C8H11N3O3
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.08004122
Names & identifiers
- Preferred name
- 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid
- IUPAC
- 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylic acid
- English name
- 1H-Indazole-5-carboxylicacid,5-amino-2,3,4,5,6,7-hexahydro-3-oxo-(9CI)
- Molecular formula
- C8H11N3O3
- Molecular weight
- 197.19124
Names & synonyms
765878-70-4DTXSID5011687635-Amino-2,3,4,5,6,7-hexahydro-3-oxo-1H-indazole-5-carboxylic acid5-amino-3-oxo-2,3,4,5,6,7-hexahydro-1H-indazole-5-carboxylic acid1H-Indazole-5-carboxylicacid,5-amino-2,3,4,5,6,7-hexahydro-3-oxo-(9CI)
Database identifiers
- CAS
765878-70-4- PubChem CID
- 3367446
- DTXSID
DTXSID501168763
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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