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38446-95-6

38446-95-6 | Cyclohexanecarboxylicacid, 4-oxo-, 1,1-dimethylethyl ester

CAS No: 38446-95-6 Catalog No: AG0038SB MDL No:MFCD08061192

Product Description

Catalog Number:
AG0038SB
Chemical Name:
Cyclohexanecarboxylicacid, 4-oxo-, 1,1-dimethylethyl ester
CAS Number:
38446-95-6
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
MDL Number:
MFCD08061192
IUPAC Name:
tert-butyl 4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C11H18O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8H,4-7H2,1-3H3
InChI Key:
HYNBSBAWGATECV-UHFFFAOYSA-N
SMILES:
O=C(C1CCC(=O)CC1)OC(C)(C)C

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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