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

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

CAS No.:
1423031-08-6
Catalog Number:
AG01A19N
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
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Product Description
Catalog Number:
AG01A19N
Chemical Name:
tert-butyl N-[(2-oxocycloheptyl)methyl]carbamate
CAS Number:
1423031-08-6
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
IUPAC Name:
tert-butyl N-[(2-oxocycloheptyl)methyl]carbamate
InChI:
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-9-10-7-5-4-6-8-11(10)15/h10H,4-9H2,1-3H3,(H,14,16)
InChI Key:
JKPXTNAZYQNFSE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCCCCC1=O
Properties
Complexity:
281  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties