Home Other Building Blocks tert-butyl N-(6-oxooct-7-yn-3-yl)carbamate

tert-butyl N-(6-oxooct-7-yn-3-yl)carbamate

CAS No.:
2029198-53-4
Catalog Number:
AG01EMS7
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
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Product Description
Catalog Number:
AG01EMS7
Chemical Name:
tert-butyl N-(6-oxooct-7-yn-3-yl)carbamate
CAS Number:
2029198-53-4
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD31668612
IUPAC Name:
tert-butyl N-(6-oxooct-7-yn-3-yl)carbamate
InChI:
InChI=1S/C13H21NO3/c1-6-10(8-9-11(15)7-2)14-12(16)17-13(3,4)5/h2,10H,6,8-9H2,1,3-5H3,(H,14,16)
InChI Key:
PESITBWWZFRXQM-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)OC(C)(C)C)CCC(=O)C#C
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties