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727652-21-3 | (2e)-3-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-propenoic acid
CAS No: 727652-21-3 Catalog No: AG00ICB8 MDL No:
Product Description
Catalog Number:
AG00ICB8
Chemical Name:
(2e)-3-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-propenoic acid
CAS Number:
727652-21-3
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
IUPAC Name:
(E)-3-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C17H14N2O3/c1-22-13-6-4-5-12(11-13)17-14(8-9-16(20)21)19-10-3-2-7-15(19)18-17/h2-11H,1H3,(H,20,21)/b9-8+
InChI Key:
QBDQZLDUTLCWSZ-CMDGGOBGSA-N
SMILES:
COc1cccc(c1)c1nc2n(c1/C=C/C(=O)O)cccc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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