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478832-60-9 molecular structure
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6-methyl-1H-indazol-5-ol

ChemBase ID: 288593
Molecular Formular: C8H8N2O
Molecular Mass: 148.16192
Monoisotopic Mass: 148.06366289
SMILES and InChIs

SMILES:
Oc1cc2c([nH]nc2)cc1C
Canonical SMILES:
Oc1cc2cn[nH]c2cc1C
InChI:
InChI=1S/C8H8N2O/c1-5-2-7-6(3-8(5)11)4-9-10-7/h2-4,11H,1H3,(H,9,10)
InChIKey:
NTOBXXNRFCWTAH-UHFFFAOYSA-N

Cite this record

CBID:288593 http://www.chembase.cn/molecule-288593.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-1H-indazol-5-ol
IUPAC Traditional name
6-methyl-1H-indazol-5-ol
Synonyms
6-Methyl-1H-indazol-5-ol
CAS Number
478832-60-9
MDL Number
MFCD08704815
PubChem SID
180674124
PubChem CID
22934018

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD20956 Please log in.
Data Source Data ID
PubChem 22934018 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.751182  H Acceptors
H Donor LogD (pH = 5.5) 1.5060952 
LogD (pH = 7.4) 1.5042444  Log P 1.5061637 
Molar Refractivity 43.0952 cm3 Polarizability 17.012302 Å3
Polar Surface Area 48.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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