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1155847-27-0 | 1H-Pyrazolo[3,4-b]pyridine-3-acetic acid
CAS No: 1155847-27-0 Catalog No: AG000G71 MDL No:MFCD19690174
Product Description
Catalog Number:
AG000G71
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-3-acetic acid
CAS Number:
1155847-27-0
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD19690174
IUPAC Name:
2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetic acid
InChI:
InChI=1S/C8H7N3O2/c12-7(13)4-6-5-2-1-3-9-8(5)11-10-6/h1-3H,4H2,(H,12,13)(H,9,10,11)
InChI Key:
WHAQWKNPWBROHF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1n[nH]c2c1cccn2
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:
2
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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