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2040-01-9 | Ethanone, 1-(2,3,4,5,6-pentamethylphenyl)-
CAS No: 2040-01-9 Catalog No: AG00298L MDL No:
Product Description
Catalog Number:
AG00298L
Chemical Name:
Ethanone, 1-(2,3,4,5,6-pentamethylphenyl)-
CAS Number:
2040-01-9
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
1-(2,3,4,5,6-pentamethylphenyl)ethanone
InChI:
InChI=1S/C13H18O/c1-7-8(2)10(4)13(12(6)14)11(5)9(7)3/h1-6H3
InChI Key:
CTTYWXDVWGKHKJ-UHFFFAOYSA-N
SMILES:
Cc1c(C)c(C(=O)C)c(c(c1C)C)C
EC Number:
218-033-6
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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