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122772-35-4 | 1,3-Cyclohexanedione, 5,5-dimethyl-2-(1-methylethylidene)-
CAS No: 122772-35-4 Catalog No: AG000JGA MDL No:
Product Description
Catalog Number:
AG000JGA
Chemical Name:
1,3-Cyclohexanedione, 5,5-dimethyl-2-(1-methylethylidene)-
CAS Number:
122772-35-4
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
5,5-dimethyl-2-propan-2-ylidenecyclohexane-1,3-dione
InChI:
InChI=1S/C11H16O2/c1-7(2)10-8(12)5-11(3,4)6-9(10)13/h5-6H2,1-4H3
InChI Key:
ZDFKYRBMJLTZCZ-UHFFFAOYSA-N
SMILES:
CC(=C1C(=O)CC(CC1=O)(C)C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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