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1167055-53-9 | 1H-Indazole-3-carboxylic acid, 5,7-dimethoxy-
CAS No: 1167055-53-9 Catalog No: AG000D0Y MDL No:
Product Description
Catalog Number:
AG000D0Y
Chemical Name:
1H-Indazole-3-carboxylic acid, 5,7-dimethoxy-
CAS Number:
1167055-53-9
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
IUPAC Name:
5,7-dimethoxy-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C10H10N2O4/c1-15-5-3-6-8(7(4-5)16-2)11-12-9(6)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
NFGDWJYJHHUMEI-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)c(n[nH]2)C(=O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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