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1004-77-9 | Cyclohexanone, 2-(1-methylethyl)-
CAS No: 1004-77-9 Catalog No: AG0001WM MDL No:MFCD07779260
Product Description
Catalog Number:
AG0001WM
Chemical Name:
Cyclohexanone, 2-(1-methylethyl)-
CAS Number:
1004-77-9
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD07779260
IUPAC Name:
2-propan-2-ylcyclohexan-1-one
InChI:
InChI=1S/C9H16O/c1-7(2)8-5-3-4-6-9(8)10/h7-8H,3-6H2,1-2H3
InChI Key:
SDJUYPUXVFDUFF-UHFFFAOYSA-N
SMILES:
CC(C1CCCCC1=O)C
EC Number:
213-728-0
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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