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113775-22-7 | 2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester, (1S,4S)-
CAS No: 113775-22-7 Catalog No: AG0009NN MDL No:MFCD06797016
Product Description
Catalog Number:
AG0009NN
Chemical Name:
2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester, (1S,4S)-
CAS Number:
113775-22-7
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
MDL Number:
MFCD06797016
IUPAC Name:
tert-butyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
InChI:
InChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-5-6-4-7(11)8(12)14-6/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChI Key:
LRUFZHMJIBJMPC-BQBZGAKWSA-N
SMILES:
O=C(N1C[C@@H]2C[C@H]1C(=O)O2)OC(C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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