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1131595-36-2 molecular structure
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3-methyl-1H-indazol-7-ol

ChemBase ID: 70860
Molecular Formular: C8H8N2O
Molecular Mass: 148.16192
Monoisotopic Mass: 148.06366289
SMILES and InChIs

SMILES:
[nH]1nc(c2cccc(c12)O)C
Canonical SMILES:
Oc1cccc2c1[nH]nc2C
InChI:
InChI=1S/C8H8N2O/c1-5-6-3-2-4-7(11)8(6)10-9-5/h2-4,11H,1H3,(H,9,10)
InChIKey:
BOPBKEWPSKGMSR-UHFFFAOYSA-N

Cite this record

CBID:70860 http://www.chembase.cn/molecule-70860.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-1H-indazol-7-ol
IUPAC Traditional name
3-methyl-1H-indazol-7-ol
Synonyms
3-Methyl-1H-indazol-7-ol
CAS Number
1131595-36-2
MDL Number
MFCD11109856
PubChem SID
162036568
PubChem CID
46835384

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46835384 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.227375  H Acceptors
H Donor LogD (pH = 5.5) 1.1233419 
LogD (pH = 7.4) 1.117731  Log P 1.1241125 
Molar Refractivity 42.6455 cm3 Polarizability 17.015276 Å3
Polar Surface Area 48.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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