1-butyl-1H-indazole-6-carboxylic acid

HCID 21085166
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Basic information

Standard SMILES
CCCCn1ncc2ccc(C(=O)O)cc21
InChIKey
ILAOEWVAWZQDML-UHFFFAOYSA-N
Molecular formula
C12H14N2O2
Average molar mass
218.25 g/mol

Names & identifiers

Preferred name
1-butyl-1H-indazole-6-carboxylic acid
IUPAC
1-butylindazole-6-carboxylic acid

Names & synonyms

SCHEMBL3349042ILAOEWVAWZQDML-UHFFFAOYSA-N1-butyl-1H-indazole-6-carboxylic acid

Database identifiers

PubChem CID
21085166

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
55.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

Related reactions

6 records
New reaction record

Compound notes

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