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1244855-37-5 | 3-(3-isobutyl-3H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
CAS No: 1244855-37-5 Catalog No: AG00J5QE MDL No:MFCD15732394
Product Description
Catalog Number:
AG00J5QE
Chemical Name:
3-(3-isobutyl-3H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
CAS Number:
1244855-37-5
Molecular Formula:
C17H17N3O2
Molecular Weight:
295.3358
MDL Number:
MFCD15732394
IUPAC Name:
3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]benzoic acid
InChI:
InChI=1S/C17H17N3O2/c1-11(2)10-20-15(19-14-7-4-8-18-16(14)20)12-5-3-6-13(9-12)17(21)22/h3-9,11H,10H2,1-2H3,(H,21,22)
InChI Key:
SKEJJCBCWZVUBY-UHFFFAOYSA-N
SMILES:
CC(Cn1c(nc2c1nccc2)c1cccc(c1)C(=O)O)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.342g/mol
Monoisotopic Mass:
295.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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