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1196156-42-9 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, methyl ester
CAS No: 1196156-42-9 Catalog No: AG000PCT MDL No:MFCD11977789
Product Description
Catalog Number:
AG000PCT
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, methyl ester
CAS Number:
1196156-42-9
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD11977789
IUPAC Name:
methyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate
InChI:
InChI=1S/C8H7N3O2/c1-13-8(12)6-2-5-4-10-11-7(5)9-3-6/h2-4H,1H3,(H,9,10,11)
InChI Key:
WAYSJYROSIMXRC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)cn[nH]2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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