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Home > Pyridines > 478033-65-7
478033-65-7 | 4-hydroxy-1-[(5-methylfuran-2-yl)methyl]-3-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydropyridin-2-one
CAS No: 478033-65-7 Catalog No: AG00IORF MDL No:MFCD02082501
Product Description
Catalog Number:
AG00IORF
Chemical Name:
4-hydroxy-1-[(5-methylfuran-2-yl)methyl]-3-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydropyridin-2-one
CAS Number:
478033-65-7
Molecular Formula:
C20H19NO3
Molecular Weight:
321.3698
MDL Number:
MFCD02082501
IUPAC Name:
4-hydroxy-1-[(5-methylfuran-2-yl)methyl]-3-(3-phenylprop-2-enyl)pyridin-2-one
InChI:
InChI=1S/C20H19NO3/c1-15-10-11-17(24-15)14-21-13-12-19(22)18(20(21)23)9-5-8-16-6-3-2-4-7-16/h2-8,10-13,22H,9,14H2,1H3
InChI Key:
INKVUWIIWTVCTA-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)Cn1ccc(c(c1=O)C/C=C/c1ccccc1)O
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.376g/mol
Monoisotopic Mass:
321.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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