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25115-80-4 | 1-Propanone, 1-(2,6-dimethylphenyl)-2,2-dimethyl-
CAS No: 25115-80-4 Catalog No: AG002QJ7 MDL No:MFCD03841182
Product Description
Catalog Number:
AG002QJ7
Chemical Name:
1-Propanone, 1-(2,6-dimethylphenyl)-2,2-dimethyl-
CAS Number:
25115-80-4
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
MDL Number:
MFCD03841182
IUPAC Name:
1-(2,6-dimethylphenyl)-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C13H18O/c1-9-7-6-8-10(2)11(9)12(14)13(3,4)5/h6-8H,1-5H3
InChI Key:
FYRAKYLYXNTHDI-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)c1c(C)cccc1C
Properties
Complexity:
202
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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