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87864-69-5 | 2-Propenoic acid, 3-[6-(4-methoxybenzoyl)-2-pyridinyl]-, ethyl ester, (E)-
CAS No: 87864-69-5 Catalog No: AG004IWT MDL No:
Product Description
Catalog Number:
AG004IWT
Chemical Name:
2-Propenoic acid, 3-[6-(4-methoxybenzoyl)-2-pyridinyl]-, ethyl ester, (E)-
CAS Number:
87864-69-5
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
IUPAC Name:
ethyl 3-[6-(4-methoxybenzoyl)pyridin-2-yl]prop-2-enoate
InChI:
InChI=1S/C18H17NO4/c1-3-23-17(20)12-9-14-5-4-6-16(19-14)18(21)13-7-10-15(22-2)11-8-13/h4-12H,3H2,1-2H3
InChI Key:
ATZYOIHMOSSRBJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1cccc(n1)C(=O)c1ccc(cc1)OC
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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