Home Carboxys 3-Azetidinecarboxylicacid,1,1-dimethylethylester(9CI)

3-Azetidinecarboxylicacid,1,1-dimethylethylester(9CI)

CAS No.:
790600-78-1
Catalog Number:
AG00G9OP
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
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Product Description
Catalog Number:
AG00G9OP
Chemical Name:
3-Azetidinecarboxylicacid,1,1-dimethylethylester(9CI)
CAS Number:
790600-78-1
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
tert-butyl azetidine-3-carboxylate
InChI:
InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)6-4-9-5-6/h6,9H,4-5H2,1-3H3
InChI Key:
DYEPMFDUWLPBKL-UHFFFAOYSA-N
SMILES:
O=C(C1CNC1)OC(C)(C)C
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties