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129740-14-3 | 2-Azetidinecarboxylic acid, 1,1-dimethylethyl ester, (2S)-
CAS No: 129740-14-3 Catalog No: AG000TN7 MDL No:
Product Description
Catalog Number:
AG000TN7
Chemical Name:
2-Azetidinecarboxylic acid, 1,1-dimethylethyl ester, (2S)-
CAS Number:
129740-14-3
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
tert-butyl (2S)-azetidine-2-carboxylate
InChI:
InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)6-4-5-9-6/h6,9H,4-5H2,1-3H3/t6-/m0/s1
InChI Key:
KHNFEQCEQIAFES-LURJTMIESA-N
SMILES:
O=C([C@@H]1CCN1)OC(C)(C)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0.9
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