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113436-11-6 | 2-Cyclohexene-1,4-dione, 2-methyl-
CAS No: 113436-11-6 Catalog No: AG0008KW MDL No:
Product Description
Catalog Number:
AG0008KW
Chemical Name:
2-Cyclohexene-1,4-dione, 2-methyl-
CAS Number:
113436-11-6
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
IUPAC Name:
2-methylcyclohex-2-ene-1,4-dione
InChI:
InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h4H,2-3H2,1H3
InChI Key:
JHISVHDIJOSBDV-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)C(=C1)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.052g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.139g/mol
Monoisotopic Mass:
124.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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