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102471-92-1 | 1-Propanone, 1,3-bis(2,4,6-trimethylphenyl)-
CAS No: 102471-92-1 Catalog No: AG0007K7 MDL No:
Product Description
Catalog Number:
AG0007K7
Chemical Name:
1-Propanone, 1,3-bis(2,4,6-trimethylphenyl)-
CAS Number:
102471-92-1
Molecular Formula:
C21H26O
Molecular Weight:
294.4305
IUPAC Name:
1,3-bis(2,4,6-trimethylphenyl)propan-1-one
InChI:
InChI=1S/C21H26O/c1-13-9-15(3)19(16(4)10-13)7-8-20(22)21-17(5)11-14(2)12-18(21)6/h9-12H,7-8H2,1-6H3
InChI Key:
HBGWYVWVBMOSMK-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)CCC(=O)c1c(C)cc(cc1C)C
NSC Number:
100263
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.198g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.438g/mol
Monoisotopic Mass:
294.198g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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