Home Carboxys tert-butyl 6-phenyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

tert-butyl 6-phenyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

CAS No.:
1435060-21-1
Catalog Number:
AG01B6ST
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
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Product Description
Catalog Number:
AG01B6ST
Chemical Name:
tert-butyl 6-phenyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CAS Number:
1435060-21-1
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD28970620
IUPAC Name:
tert-butyl 6-phenyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
InChI:
InChI=1S/C16H21NO3/c1-15(2,3)20-14(18)17-10-9-16(13(11-17)19-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChI Key:
KCNPMWOOFGBZDW-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C(C1)O2)c1ccccc1)OC(C)(C)C
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties