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10225-98-6 | 1,5-Heptanedione, 4,4,6-trimethyl-1,3-diphenyl-
CAS No: 10225-98-6 Catalog No: AG00071R MDL No:
Product Description
Catalog Number:
AG00071R
Chemical Name:
1,5-Heptanedione, 4,4,6-trimethyl-1,3-diphenyl-
CAS Number:
10225-98-6
Molecular Formula:
C22H26O2
Molecular Weight:
322.4406
IUPAC Name:
4,4,6-trimethyl-1,3-diphenylheptane-1,5-dione
InChI:
InChI=1S/C22H26O2/c1-16(2)21(24)22(3,4)19(17-11-7-5-8-12-17)15-20(23)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3
InChI Key:
VPPQXCSLPPHLNW-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(C(C(=O)C(C)C)(C)C)c1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.193g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.448g/mol
Monoisotopic Mass:
322.193g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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