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88331-81-1 | 2-Propen-1-one, 3-[4-(2,2-diethoxyethoxy)phenyl]-1-(4-pyridinyl)-
CAS No: 88331-81-1 Catalog No: AG0047XQ MDL No:
Product Description
Catalog Number:
AG0047XQ
Chemical Name:
2-Propen-1-one, 3-[4-(2,2-diethoxyethoxy)phenyl]-1-(4-pyridinyl)-
CAS Number:
88331-81-1
Molecular Formula:
C20H23NO4
Molecular Weight:
341.4009
IUPAC Name:
3-[4-(2,2-diethoxyethoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C20H23NO4/c1-3-23-20(24-4-2)15-25-18-8-5-16(6-9-18)7-10-19(22)17-11-13-21-14-12-17/h5-14,20H,3-4,15H2,1-2H3
InChI Key:
AWXHLFDZEMWVBO-UHFFFAOYSA-N
SMILES:
CCOC(COc1ccc(cc1)C=CC(=O)c1ccncc1)OCC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.407g/mol
Monoisotopic Mass:
341.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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