Home Carboxys benzyl 1-oxa-5-azaspiro[2.5]octane-5-carboxylate

benzyl 1-oxa-5-azaspiro[2.5]octane-5-carboxylate

CAS No.:
1047655-54-8
Catalog Number:
AG01AFFS
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
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Product Description
Catalog Number:
AG01AFFS
Chemical Name:
benzyl 1-oxa-5-azaspiro[2.5]octane-5-carboxylate
CAS Number:
1047655-54-8
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD22741538
IUPAC Name:
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
InChI:
InChI=1S/C14H17NO3/c16-13(17-9-12-5-2-1-3-6-12)15-8-4-7-14(10-15)11-18-14/h1-3,5-6H,4,7-11H2
InChI Key:
VXHCCNHBPGQJKU-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2(C1)CO2)OCc1ccccc1
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties