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52890-52-5 | Phenyl(2,4,5-trimethylphenyl)methanone
CAS No: 52890-52-5 Catalog No: AG003FM6 MDL No:MFCD08276423
Product Description
Catalog Number:
AG003FM6
Chemical Name:
Phenyl(2,4,5-trimethylphenyl)methanone
CAS Number:
52890-52-5
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
MDL Number:
MFCD08276423
IUPAC Name:
phenyl-(2,4,5-trimethylphenyl)methanone
InChI:
InChI=1S/C16H16O/c1-11-9-13(3)15(10-12(11)2)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
InChI Key:
FTPZYWUJDVZEIE-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(cc1C(=O)c1ccccc1)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.303g/mol
Monoisotopic Mass:
224.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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