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14790-04-6 | 2,5-Cyclohexadien-1-one, 2,3,4,4,5,6-hexamethyl-
CAS No: 14790-04-6 Catalog No: AG001FAC MDL No:
Product Description
Catalog Number:
AG001FAC
Chemical Name:
2,5-Cyclohexadien-1-one, 2,3,4,4,5,6-hexamethyl-
CAS Number:
14790-04-6
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
2,3,4,4,5,6-hexamethylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C12H18O/c1-7-9(3)12(5,6)10(4)8(2)11(7)13/h1-6H3
InChI Key:
MVGMUUAWHJAZQB-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C)C(C(=C1C)C)(C)C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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