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89201-29-6 | 2-Pentene-1,4-dione, 3-benzoyl-1-[4-(dimethylamino)phenyl]-
CAS No: 89201-29-6 Catalog No: AG0046BJ MDL No:
Product Description
Catalog Number:
AG0046BJ
Chemical Name:
2-Pentene-1,4-dione, 3-benzoyl-1-[4-(dimethylamino)phenyl]-
CAS Number:
89201-29-6
Molecular Formula:
C20H19NO3
Molecular Weight:
321.3698
IUPAC Name:
3-benzoyl-1-[4-(dimethylamino)phenyl]pent-2-ene-1,4-dione
InChI:
InChI=1S/C20H19NO3/c1-14(22)18(20(24)16-7-5-4-6-8-16)13-19(23)15-9-11-17(12-10-15)21(2)3/h4-13H,1-3H3
InChI Key:
YJGCFEHVFXEQPZ-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C(=O)C=C(C(=O)c1ccccc1)C(=O)C)C
Properties
Complexity:
507
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.376g/mol
Monoisotopic Mass:
321.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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