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727652-24-6 | 3-(7-Methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid
CAS No: 727652-24-6 Catalog No: AG01EX5G MDL No:MFCD04117036
Product Description
Catalog Number:
AG01EX5G
Chemical Name:
3-(7-Methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid
CAS Number:
727652-24-6
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
MDL Number:
MFCD04117036
IUPAC Name:
3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C17H14N2O2/c1-12-9-10-19-14(7-8-16(20)21)17(18-15(19)11-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChI Key:
PHDWLZXGTMYRDG-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1c(nc2n1ccc(c2)C)c1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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