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1150618-05-5 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 3-methyl-, methyl ester
CAS No: 1150618-05-5 Catalog No: AG000FT6 MDL No:MFCD12031251
Product Description
Catalog Number:
AG000FT6
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 3-methyl-, methyl ester
CAS Number:
1150618-05-5
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD12031251
IUPAC Name:
methyl 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-5-7-3-6(9(13)14-2)4-10-8(7)12-11-5/h3-4H,1-2H3,(H,10,11,12)
InChI Key:
YJXJLESRRZVQPW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)c(C)n[nH]2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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