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1260639-22-2 | 1,2-Azetidinedicarboxylic acid, 1-(1,1-diMethylethyl) 2-ethyl ester
CAS No: 1260639-22-2 Catalog No: AG000QXT MDL No:MFCD06657100
Product Description
Catalog Number:
AG000QXT
Chemical Name:
1,2-Azetidinedicarboxylic acid, 1-(1,1-diMethylethyl) 2-ethyl ester
CAS Number:
1260639-22-2
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD06657100
IUPAC Name:
1-O-tert-butyl 2-O-ethyl azetidine-1,2-dicarboxylate
InChI:
InChI=1S/C11H19NO4/c1-5-15-9(13)8-6-7-12(8)10(14)16-11(2,3)4/h8H,5-7H2,1-4H3
InChI Key:
IKEVFCBVUFBCBE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN1C(=O)OC(C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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