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83598-09-8 | 2-Propanone, 1,3-bis(3-methylphenyl)-
CAS No: 83598-09-8 Catalog No: AG004TT8 MDL No:MFCD00969527
Product Description
Catalog Number:
AG004TT8
Chemical Name:
2-Propanone, 1,3-bis(3-methylphenyl)-
CAS Number:
83598-09-8
Molecular Formula:
C17H18O
Molecular Weight:
238.3242
MDL Number:
MFCD00969527
IUPAC Name:
1,3-bis(3-methylphenyl)propan-2-one
InChI:
InChI=1S/C17H18O/c1-13-5-3-7-15(9-13)11-17(18)12-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3
InChI Key:
WGDOQXLDQCLKHA-UHFFFAOYSA-N
SMILES:
O=C(Cc1cccc(c1)C)Cc1cccc(c1)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.33g/mol
Monoisotopic Mass:
238.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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