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1755-15-3 | 1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-
CAS No: 1755-15-3 Catalog No: AG00210W MDL No:MFCD00467663
Product Description
Catalog Number:
AG00210W
Chemical Name:
1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-
CAS Number:
1755-15-3
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
MDL Number:
MFCD00467663
IUPAC Name:
2-acetyl-5,5-dimethylcyclohexane-1,3-dione
InChI:
InChI=1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h9H,4-5H2,1-3H3
InChI Key:
ITSKWKZDPHAQNK-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C1C(=O)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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