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20615-46-7 | 1-Propanone, 1,3-bis(4-methylphenyl)-
CAS No: 20615-46-7 Catalog No: AG002AJF MDL No:
Product Description
Catalog Number:
AG002AJF
Chemical Name:
1-Propanone, 1,3-bis(4-methylphenyl)-
CAS Number:
20615-46-7
Molecular Formula:
C17H18O
Molecular Weight:
238.3242
IUPAC Name:
1,3-bis(4-methylphenyl)propan-1-one
InChI:
InChI=1S/C17H18O/c1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16/h3-8,10-11H,9,12H2,1-2H3
InChI Key:
OSYISYRTPBXJFH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CCC(=O)c1ccc(cc1)C
Properties
Complexity:
255
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:
4.2
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