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43120-28-1 | 1H-Indazole-3-Carboxylic Acid Methyl Ester
CAS No: 43120-28-1 Catalog No: AG0038PR MDL No:MFCD01138133
Product Description
Catalog Number:
AG0038PR
Chemical Name:
1H-Indazole-3-Carboxylic Acid Methyl Ester
CAS Number:
43120-28-1
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD01138133
IUPAC Name:
methyl 1H-indazole-3-carboxylate
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H,1H3,(H,10,11)
InChI Key:
KWTCVAHCQGKXAZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1cccc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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