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6958-90-3 | 3,4-Hexanedione,1,6-diphenyl-
CAS No: 6958-90-3 Catalog No: AG005K3W MDL No:
Product Description
Catalog Number:
AG005K3W
Chemical Name:
3,4-Hexanedione,1,6-diphenyl-
CAS Number:
6958-90-3
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
1,6-diphenylhexane-3,4-dione
InChI:
InChI=1S/C18H18O2/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChI Key:
UBGBMZWHIZIPRK-UHFFFAOYSA-N
SMILES:
O=C(C(=O)CCc1ccccc1)CCc1ccccc1
NSC Number:
66459
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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