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Home Other Building Blocks TERT-BUTYL (1-METHYL-4-OXOCYCLOHEXYL)METHYLCARBAMATE

TERT-BUTYL (1-METHYL-4-OXOCYCLOHEXYL)METHYLCARBAMATE

CAS No.:
1207111-45-2
Catalog Number:
AG01DTCZ
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
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Product Description
Catalog Number:
AG01DTCZ
Chemical Name:
TERT-BUTYL (1-METHYL-4-OXOCYCLOHEXYL)METHYLCARBAMATE
CAS Number:
1207111-45-2
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD17013085
IUPAC Name:
tert-butyl N-[(1-methyl-4-oxocyclohexyl)methyl]carbamate
InChI:
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-9-13(4)7-5-10(15)6-8-13/h5-9H2,1-4H3,(H,14,16)
InChI Key:
MWNICYBMNRGXEQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(C)CCC(=O)CC1
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.168g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.168g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties