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118933-92-9 molecular structure
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1-methyl-1H-indazol-6-ol

ChemBase ID: 87400
Molecular Formular: C8H8N2O
Molecular Mass: 148.16192
Monoisotopic Mass: 148.06366289
SMILES and InChIs

SMILES:
n1cc2ccc(cc2n1C)O
Canonical SMILES:
Oc1ccc2c(c1)n(C)nc2
InChI:
InChI=1S/C8H8N2O/c1-10-8-4-7(11)3-2-6(8)5-9-10/h2-5,11H,1H3
InChIKey:
ZAKUTNCHAYBXFN-UHFFFAOYSA-N

Cite this record

CBID:87400 http://www.chembase.cn/molecule-87400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H-indazol-6-ol
IUPAC Traditional name
1-methylindazol-6-ol
Synonyms
1-Methyl-1H-indazol-6-ol
6-Hydroxy-1-methyl-1H-indazole
CAS Number
118933-92-9
MDL Number
MFCD00456074
PubChem SID
162074499
PubChem CID
840432

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR30844 external link Add to cart Please log in.
Data Source Data ID
PubChem 840432 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.409053  H Acceptors
H Donor LogD (pH = 5.5) 1.1163474 
LogD (pH = 7.4) 1.1122125  Log P 1.1164185 
Molar Refractivity 53.27 cm3 Polarizability 17.009613 Å3
Polar Surface Area 38.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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