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477888-18-9 | 1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydropyridin-2-one
CAS No: 477888-18-9 Catalog No: AG00IXTF MDL No:MFCD02082399
Product Description
Catalog Number:
AG00IXTF
Chemical Name:
1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydropyridin-2-one
CAS Number:
477888-18-9
Molecular Formula:
C23H23NO4
Molecular Weight:
377.4330
MDL Number:
MFCD02082399
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(3-phenylprop-2-enyl)pyridin-2-one
InChI:
InChI=1S/C23H23NO4/c1-27-21-12-11-18(15-22(21)28-2)16-24-14-13-20(25)19(23(24)26)10-6-9-17-7-4-3-5-8-17/h3-9,11-15,25H,10,16H2,1-2H3
InChI Key:
GOVKTUKNHMUNEQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cn1ccc(c(c1=O)C/C=C/c1ccccc1)O
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.44g/mol
Monoisotopic Mass:
377.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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