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335030-65-4 | (E)-3-(3H-Imidazo[4,5-b]pyridin-6-yl)acrylic acid
CAS No: 335030-65-4 Catalog No: AG007F6Y MDL No:MFCD13177376
Product Description
Catalog Number:
AG007F6Y
Chemical Name:
(E)-3-(3H-Imidazo[4,5-b]pyridin-6-yl)acrylic acid
CAS Number:
335030-65-4
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD13177376
IUPAC Name:
(E)-3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H7N3O2/c13-8(14)2-1-6-3-7-9(10-4-6)12-5-11-7/h1-5H,(H,13,14)(H,10,11,12)/b2-1+
InChI Key:
JMDBUAOMYBSWKN-OWOJBTEDSA-N
SMILES:
OC(=O)/C=C/c1cnc2c(c1)nc[nH]2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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