Home Carboxys tert-butyl 1,4,5-oxadiazepane-4-carboxylate

tert-butyl 1,4,5-oxadiazepane-4-carboxylate

CAS No.:
1819968-78-9
Catalog Number:
AG01C4HA
Molecular Formula:
C9H18N2O3
Molecular Weight:
202.2508
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Product Description
Catalog Number:
AG01C4HA
Chemical Name:
tert-butyl 1,4,5-oxadiazepane-4-carboxylate
CAS Number:
1819968-78-9
Molecular Formula:
C9H18N2O3
Molecular Weight:
202.2508
MDL Number:
MFCD31615897
IUPAC Name:
tert-butyl 1,4,5-oxadiazepane-4-carboxylate
InChI:
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10-11/h10H,4-7H2,1-3H3
InChI Key:
IRBZOGHDYUWGBC-UHFFFAOYSA-N
SMILES:
O=C(N1NCCOCC1)OC(C)(C)C
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.132g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.254g/mol
Monoisotopic Mass:
202.132g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties