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116223-42-8 | 1,13-Tridecanedione, 1,13-diphenyl-
CAS No: 116223-42-8 Catalog No: AG000BZJ MDL No:
Product Description
Catalog Number:
AG000BZJ
Chemical Name:
1,13-Tridecanedione, 1,13-diphenyl-
CAS Number:
116223-42-8
Molecular Formula:
C25H32O2
Molecular Weight:
364.5204
IUPAC Name:
1,13-diphenyltridecane-1,13-dione
InChI:
InChI=1S/C25H32O2/c26-24(22-16-10-8-11-17-22)20-14-6-4-2-1-3-5-7-15-21-25(27)23-18-12-9-13-19-23/h8-13,16-19H,1-7,14-15,20-21H2
InChI Key:
WWLGPMRBKWDRCB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCCCCCCCCCCC(=O)c1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.24g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.529g/mol
Monoisotopic Mass:
364.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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