Home Other Building Blocks tert-butyl N-[(2-oxocyclohexyl)methyl]carbamate

tert-butyl N-[(2-oxocyclohexyl)methyl]carbamate

CAS No.:
477584-15-9
Catalog Number:
AG01AKS9
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
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Product Description
Catalog Number:
AG01AKS9
Chemical Name:
tert-butyl N-[(2-oxocyclohexyl)methyl]carbamate
CAS Number:
477584-15-9
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD20233568
IUPAC Name:
tert-butyl N-[(2-oxocyclohexyl)methyl]carbamate
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-9-6-4-5-7-10(9)14/h9H,4-8H2,1-3H3,(H,13,15)
InChI Key:
URNWDOSTYDPAKR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCCCC1=O
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties