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351210-06-5 molecular structure
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4-methoxy-1H-indazole

ChemBase ID: 294486
Molecular Formular: C8H8N2O
Molecular Mass: 148.16192
Monoisotopic Mass: 148.06366289
SMILES and InChIs

SMILES:
COc1cccc2c1cn[nH]2
Canonical SMILES:
COc1cccc2c1cn[nH]2
InChI:
InChI=1S/C8H8N2O/c1-11-8-4-2-3-7-6(8)5-9-10-7/h2-5H,1H3,(H,9,10)
InChIKey:
RHXWAMSYANZWMS-UHFFFAOYSA-N

Cite this record

CBID:294486 http://www.chembase.cn/molecule-294486.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-1H-indazole
IUPAC Traditional name
4-methoxy-1H-indazole
Synonyms
4-Methoxy-1H-indazole
CAS Number
351210-06-5
PubChem SID
180680017
PubChem CID
24729333

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24729333 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.000788  H Acceptors
H Donor LogD (pH = 5.5) 1.1386044 
LogD (pH = 7.4) 1.1386349  Log P 1.1386365 
Molar Refractivity 42.5363 cm3 Polarizability 17.169712 Å3
Polar Surface Area 37.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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