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1236144-51-6 | 1,3-Azetidinedicarboxylic acid, 3-(1,1-dimethylethyl) 1-(phenylmethyl) ester
CAS No: 1236144-51-6 Catalog No: AG000KVG MDL No:MFCD27938753
Product Description
Catalog Number:
AG000KVG
Chemical Name:
1,3-Azetidinedicarboxylic acid, 3-(1,1-dimethylethyl) 1-(phenylmethyl) ester
CAS Number:
1236144-51-6
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD27938753
IUPAC Name:
1-O-benzyl 3-O-tert-butyl azetidine-1,3-dicarboxylate
InChI:
InChI=1S/C16H21NO4/c1-16(2,3)21-14(18)13-9-17(10-13)15(19)20-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChI Key:
MBELYSROOPOIIB-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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