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865887-16-7 molecular structure
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ethyl 5-methoxy-1H-indazole-3-carboxylate

ChemBase ID: 810731
Molecular Formular: C11H12N2O3
Molecular Mass: 220.22458
Monoisotopic Mass: 220.08479225
SMILES and InChIs

SMILES:
c1(n[nH]c2ccc(cc12)OC)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1n[nH]c2c1cc(OC)cc2
InChI:
InChI=1S/C11H12N2O3/c1-3-16-11(14)10-8-6-7(15-2)4-5-9(8)12-13-10/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey:
LFWBFXSJXLTAIJ-UHFFFAOYSA-N

Cite this record

CBID:810731 http://www.chembase.cn/molecule-810731.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-methoxy-1H-indazole-3-carboxylate
IUPAC Traditional name
ethyl 5-methoxy-1H-indazole-3-carboxylate
Synonyms
5-METHOXY-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
CAS Number
865887-16-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29535 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29535 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.659343  H Acceptors
H Donor LogD (pH = 5.5) 1.6847422 
LogD (pH = 7.4) 1.6824464  Log P 1.6847717 
Molar Refractivity 58.9382 cm3 Polarizability 23.435764 Å3
Polar Surface Area 64.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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