Home Carboxys 6-[(tert-butoxy)carbonyl]-8-fluoro-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid

6-[(tert-butoxy)carbonyl]-8-fluoro-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid

CAS No.:
1312411-21-4
Catalog Number:
AG01BCEC
Molecular Formula:
C12H18FNO5
Molecular Weight:
275.2734
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Product Description
Catalog Number:
AG01BCEC
Chemical Name:
6-[(tert-butoxy)carbonyl]-8-fluoro-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid
CAS Number:
1312411-21-4
Molecular Formula:
C12H18FNO5
Molecular Weight:
275.2734
MDL Number:
MFCD29033799
IUPAC Name:
5-fluoro-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-7-azaspiro[3.4]octane-5-carboxylic acid
InChI:
InChI=1S/C12H18FNO5/c1-10(2,3)19-9(17)14-4-11(6-18-7-11)12(13,5-14)8(15)16/h4-7H2,1-3H3,(H,15,16)
InChI Key:
SXHOZQXPJZPADE-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C2(C1)COC2)(F)C(=O)O)OC(C)(C)C
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.117g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.276g/mol
Monoisotopic Mass:
275.117g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties