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72776-05-7 | (S)-Benzyl 4-oxoazetidine-2-carboxylate
CAS No: 72776-05-7 Catalog No: AG003CMX MDL No:MFCD00798164
Product Description
Catalog Number:
AG003CMX
Chemical Name:
(S)-Benzyl 4-oxoazetidine-2-carboxylate
CAS Number:
72776-05-7
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD00798164
IUPAC Name:
benzyl (2S)-4-oxoazetidine-2-carboxylate
InChI:
InChI=1S/C11H11NO3/c13-10-6-9(12-10)11(14)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1
InChI Key:
WGLLBHSIXLWVFU-VIFPVBQESA-N
SMILES:
O=C([C@@H]1CC(=O)N1)OCc1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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