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23592-92-9 | 2-Propanone, 1,3-bis(2-methylphenyl)-
CAS No: 23592-92-9 Catalog No: AG002NSR MDL No:MFCD16506173
Product Description
Catalog Number:
AG002NSR
Chemical Name:
2-Propanone, 1,3-bis(2-methylphenyl)-
CAS Number:
23592-92-9
Molecular Formula:
C17H18O
Molecular Weight:
238.3242
MDL Number:
MFCD16506173
IUPAC Name:
1,3-bis(2-methylphenyl)propan-2-one
InChI:
InChI=1S/C17H18O/c1-13-7-3-5-9-15(13)11-17(18)12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
InChI Key:
QPNXDVXEPXVRDF-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1C)Cc1ccccc1C
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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