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796988-73-3 | 2-Propen-1-one, 1,3-bis[4-(1,1-dimethylethyl)phenyl]-
CAS No: 796988-73-3 Catalog No: AG0050US MDL No:
Product Description
Catalog Number:
AG0050US
Chemical Name:
2-Propen-1-one, 1,3-bis[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
796988-73-3
Molecular Formula:
C23H28O
Molecular Weight:
320.4678
IUPAC Name:
1,3-bis(4-tert-butylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C23H28O/c1-22(2,3)19-12-7-17(8-13-19)9-16-21(24)18-10-14-20(15-11-18)23(4,5)6/h7-16H,1-6H3
InChI Key:
DLTLJPHIQGOXIB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)C=Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.476g/mol
Monoisotopic Mass:
320.214g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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