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865887-11-2 molecular structure
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6-(benzyloxy)-1H-indazole-3-carboxylic acid

ChemBase ID: 811218
Molecular Formular: C15H12N2O3
Molecular Mass: 268.26738
Monoisotopic Mass: 268.08479225
SMILES and InChIs

SMILES:
c1(n[nH]c2cc(ccc12)OCc1ccccc1)C(=O)O
Canonical SMILES:
OC(=O)c1n[nH]c2c1ccc(c2)OCc1ccccc1
InChI:
InChI=1S/C15H12N2O3/c18-15(19)14-12-7-6-11(8-13(12)16-17-14)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey:
JBPCEKWXGCHLSX-UHFFFAOYSA-N

Cite this record

CBID:811218 http://www.chembase.cn/molecule-811218.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(benzyloxy)-1H-indazole-3-carboxylic acid
IUPAC Traditional name
6-(benzyloxy)-1H-indazole-3-carboxylic acid
Synonyms
6-BENZYLOXY-1H-INDAZOLE-3-CARBOXYLIC ACID
CAS Number
865887-11-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30382 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.1236465  H Acceptors
H Donor LogD (pH = 5.5) 0.55763966 
LogD (pH = 7.4) -0.5514171  Log P 2.9065428 
Molar Refractivity 74.0331 cm3 Polarizability 29.085077 Å3
Polar Surface Area 75.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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