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1193-47-1 | Cyclohexanone, 2,2-dimethyl-
CAS No: 1193-47-1 Catalog No: AG000IK7 MDL No:MFCD00134382
Product Description
Catalog Number:
AG000IK7
Chemical Name:
Cyclohexanone, 2,2-dimethyl-
CAS Number:
1193-47-1
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00134382
IUPAC Name:
2,2-dimethylcyclohexan-1-one
InChI:
InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
InChI Key:
KNSPBSQWRKKAPI-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1(C)C
EC Number:
215-589-1
NSC Number:
20553
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Dichloromethane activation. Direct methylenation of ketones and aldehydes with CH2Cl2 promoted by Mg/TiCl4/THF. | Organic letters 20041223 |
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