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161183-22-8 | 1-Azetidinecarboxylic acid, 3-(acetyloxy)-2-oxo-4-phenyl-, 1,1-dimethylethyl ester, (3R,4S)-
CAS No: 161183-22-8 Catalog No: AG001S81 MDL No:MFCD09836163
Product Description
Catalog Number:
AG001S81
Chemical Name:
1-Azetidinecarboxylic acid, 3-(acetyloxy)-2-oxo-4-phenyl-, 1,1-dimethylethyl ester, (3R,4S)-
CAS Number:
161183-22-8
Molecular Formula:
C16H19NO5
Molecular Weight:
305.3258
MDL Number:
MFCD09836163
IUPAC Name:
tert-butyl (3R,4S)-3-acetyloxy-2-oxo-4-phenylazetidine-1-carboxylate
InChI:
InChI=1S/C16H19NO5/c1-10(18)21-13-12(11-8-6-5-7-9-11)17(14(13)19)15(20)22-16(2,3)4/h5-9,12-13H,1-4H3/t12-,13+/m0/s1
InChI Key:
UXAJYQMKDOKJIF-QWHCGFSZSA-N
SMILES:
CC(=O)O[C@H]1C(=O)N([C@H]1c1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
305.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.33g/mol
Monoisotopic Mass:
305.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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