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179321-49-4 | Carbamic acid, N-(4-oxocyclohexyl)-, 1,1-dimethylethyl ester
CAS No: 179321-49-4 Catalog No: AG0026XJ MDL No:MFCD00798168
Product Description
Catalog Number:
AG0026XJ
Chemical Name:
Carbamic acid, N-(4-oxocyclohexyl)-, 1,1-dimethylethyl ester
CAS Number:
179321-49-4
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD00798168
IUPAC Name:
tert-butyl N-(4-oxocyclohexyl)carbamate
InChI:
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)
InChI Key:
WYVFPGFWUKBXPZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCC(=O)CC1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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