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1227268-80-5 | 1H-Indazole-6-carboxylic acid, 5-methoxy-, methyl ester
CAS No: 1227268-80-5 Catalog No: AG000J3D MDL No:
Product Description
Catalog Number:
AG000J3D
Chemical Name:
1H-Indazole-6-carboxylic acid, 5-methoxy-, methyl ester
CAS Number:
1227268-80-5
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
methyl 5-methoxy-1H-indazole-6-carboxylate
InChI:
InChI=1S/C10H10N2O3/c1-14-9-3-6-5-11-12-8(6)4-7(9)10(13)15-2/h3-5H,1-2H3,(H,11,12)
InChI Key:
LZHXOVPQLNXMON-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]ncc2cc1OC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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