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144392-16-5 | 1,5-Pentanedione, 1,5-bis[4-(1,1-dimethylethyl)phenyl]-3,3-diphenyl-
CAS No: 144392-16-5 Catalog No: AG001JFQ MDL No:
Product Description
Catalog Number:
AG001JFQ
Chemical Name:
1,5-Pentanedione, 1,5-bis[4-(1,1-dimethylethyl)phenyl]-3,3-diphenyl-
CAS Number:
144392-16-5
Molecular Formula:
C37H40O2
Molecular Weight:
516.7123
IUPAC Name:
1,5-bis(4-tert-butylphenyl)-3,3-diphenylpentane-1,5-dione
InChI:
InChI=1S/C37H40O2/c1-35(2,3)29-21-17-27(18-22-29)33(38)25-37(31-13-9-7-10-14-31,32-15-11-8-12-16-32)26-34(39)28-19-23-30(24-20-28)36(4,5)6/h7-24H,25-26H2,1-6H3
InChI Key:
TXSFFGUGZPLBRM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)CC(c1ccccc1)(c1ccccc1)CC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
714
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.303g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.725g/mol
Monoisotopic Mass:
516.303g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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