Home > Compound List > Compound details
1007219-73-9 molecular structure
click picture or here to close

methyl 1-methyl-1H-indazole-6-carboxylate

ChemBase ID: 64509
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
n1n(c2cc(C(=O)OC)ccc2c1)C
Canonical SMILES:
COC(=O)c1ccc2c(c1)n(C)nc2
InChI:
InChI=1S/C10H10N2O2/c1-12-9-5-7(10(13)14-2)3-4-8(9)6-11-12/h3-6H,1-2H3
InChIKey:
RPHJVNKZUSDUDA-UHFFFAOYSA-N

Cite this record

CBID:64509 http://www.chembase.cn/molecule-64509.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1-methyl-1H-indazole-6-carboxylate
IUPAC Traditional name
methyl 1-methylindazole-6-carboxylate
Synonyms
6-(Methoxycarbonyl)-1-methyl-1H-indazole
Methyl 1-methyl-1H-indazole-6-carboxylate
1-Methyl-1H-indazole-6-carboxylic acid methyl ester
CAS Number
1007219-73-9
MDL Number
MFCD11109403
PubChem SID
162030248
PubChem CID
22598983

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22598983 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4234527  LogD (pH = 7.4) 1.4234606 
Log P 1.4234607  Molar Refractivity 63.3144 cm3
Polarizability 20.82236 Å3 Polar Surface Area 44.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle