Home Carboxys tert-butyl 2-(2-oxopropyl)azepane-1-carboxylate

tert-butyl 2-(2-oxopropyl)azepane-1-carboxylate

CAS No.:
1423025-08-4
Catalog Number:
AG019U0B
Molecular Formula:
C14H25NO3
Molecular Weight:
255.3532
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Product Description
Catalog Number:
AG019U0B
Chemical Name:
tert-butyl 2-(2-oxopropyl)azepane-1-carboxylate
CAS Number:
1423025-08-4
Molecular Formula:
C14H25NO3
Molecular Weight:
255.3532
MDL Number:
MFCD21949816
IUPAC Name:
tert-butyl 2-(2-oxopropyl)azepane-1-carboxylate
InChI:
InChI=1S/C14H25NO3/c1-11(16)10-12-8-6-5-7-9-15(12)13(17)18-14(2,3)4/h12H,5-10H2,1-4H3
InChI Key:
NLHIPSZYECZQEE-UHFFFAOYSA-N
SMILES:
CC(=O)CC1CCCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.183g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.358g/mol
Monoisotopic Mass:
255.183g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties