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90417-53-1 molecular structure
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5-methoxy-1H-indazole-3-carboxylic acid

ChemBase ID: 812663
Molecular Formular: C9H8N2O3
Molecular Mass: 192.17142
Monoisotopic Mass: 192.05349213
SMILES and InChIs

SMILES:
c1(n[nH]c2ccc(cc12)OC)C(=O)O
Canonical SMILES:
COc1ccc2c(c1)c(n[nH]2)C(=O)O
InChI:
InChI=1S/C9H8N2O3/c1-14-5-2-3-7-6(4-5)8(9(12)13)11-10-7/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey:
RSERHJPLECECPR-UHFFFAOYSA-N

Cite this record

CBID:812663 http://www.chembase.cn/molecule-812663.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxy-1H-indazole-3-carboxylic acid
IUPAC Traditional name
5-methoxy-1H-indazole-3-carboxylic acid
Synonyms
5-METHOXY-1H-INDAZOLE-3-CARBOXYLIC ACID
CAS Number
90417-53-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33112 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33112 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.1559513  H Acceptors
H Donor LogD (pH = 5.5) -1.1368083 
LogD (pH = 7.4) -2.2708511  Log P 1.1820697 
Molar Refractivity 49.4205 cm3 Polarizability 19.511415 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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