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85302-05-2 | 1,3-Propanedione, 2-[(dimethylamino)methylene]-1,3-diphenyl-
CAS No: 85302-05-2 Catalog No: AG004UVA MDL No:
Product Description
Catalog Number:
AG004UVA
Chemical Name:
1,3-Propanedione, 2-[(dimethylamino)methylene]-1,3-diphenyl-
CAS Number:
85302-05-2
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
2-(dimethylaminomethylidene)-1,3-diphenylpropane-1,3-dione
InChI:
InChI=1S/C18H17NO2/c1-19(2)13-16(17(20)14-9-5-3-6-10-14)18(21)15-11-7-4-8-12-15/h3-13H,1-2H3
InChI Key:
XCARLYBOYPXWHG-UHFFFAOYSA-N
SMILES:
CN(C=C(C(=O)c1ccccc1)C(=O)c1ccccc1)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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