1H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-1-(p-methoxyphenyl)-
Basic information
- CAS
21484-57-1- Standard SMILES
COc1ccc(-n2nc(CC(=O)O)c3c2CCCC3)cc1- InChIKey
DHTYFYXZNNSXGT-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.13174244
Names & identifiers
- Preferred name
- 1H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-1-(p-methoxyphenyl)-
- IUPAC
- 2-[1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]acetic acid
Names & synonyms
1H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-1-(p-methoxyphenyl)-21484-57-1Poli 64[1-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1h-indazol-3-yl]acetic acidBRN 0556189DTXSID601757834,5,6,7-Tetrahydro-1-(p-methoxyphenyl)-1H-indazole-3-acetic acid
Database identifiers
- CAS
21484-57-1- PubChem CID
- 210676
- DTXSID
DTXSID60175783
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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