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113450-84-3 | 2-Propen-1-one, 1-(2,3,4,5,6-pentamethylphenyl)-
CAS No: 113450-84-3 Catalog No: AG0008MM MDL No:
Product Description
Catalog Number:
AG0008MM
Chemical Name:
2-Propen-1-one, 1-(2,3,4,5,6-pentamethylphenyl)-
CAS Number:
113450-84-3
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
1-(2,3,4,5,6-pentamethylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C14H18O/c1-7-13(15)14-11(5)9(3)8(2)10(4)12(14)6/h7H,1H2,2-6H3
InChI Key:
SIJGKJBANXHUQB-UHFFFAOYSA-N
SMILES:
C=CC(=O)c1c(C)c(C)c(c(c1C)C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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