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113450-88-7 | 2-Propen-1-one, 1-(pentamethylphenyl)-3-phenyl- (9CI)
CAS No: 113450-88-7 Catalog No: AG0008MK MDL No:
Product Description
Catalog Number:
AG0008MK
Chemical Name:
2-Propen-1-one, 1-(pentamethylphenyl)-3-phenyl- (9CI)
CAS Number:
113450-88-7
Molecular Formula:
C20H22O
Molecular Weight:
278.3881
IUPAC Name:
1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C20H22O/c1-13-14(2)16(4)20(17(5)15(13)3)19(21)12-11-18-9-7-6-8-10-18/h6-12H,1-5H3
InChI Key:
XXZBQCDTAMIKCC-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)c(C)c(c(c1C)C)C)C=Cc1ccccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.395g/mol
Monoisotopic Mass:
278.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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