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1414540-31-0 | 1,2,4-Azetidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2,4-diethyl ester, (2R,4S)-rel-
CAS No: 1414540-31-0 Catalog No: AG001GEY MDL No:
Product Description
Catalog Number:
AG001GEY
Chemical Name:
1,2,4-Azetidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2,4-diethyl ester, (2R,4S)-rel-
CAS Number:
1414540-31-0
Molecular Formula:
C14H23NO6
Molecular Weight:
301.3355
IUPAC Name:
1-O-tert-butyl 2-O,4-O-diethyl azetidine-1,2,4-tricarboxylate
InChI:
InChI=1S/C14H23NO6/c1-6-19-11(16)9-8-10(12(17)20-7-2)15(9)13(18)21-14(3,4)5/h9-10H,6-8H2,1-5H3
InChI Key:
HWUJJICITUTJRX-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1C[C@@H](N1C(=O)OC(C)(C)C)C(=O)OCC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.339g/mol
Monoisotopic Mass:
301.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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