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1391077-73-8 | 1,2-Azetidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) 2-ethyl ester
CAS No: 1391077-73-8 Catalog No: AG001AA4 MDL No:MFCD24387386
Product Description
Catalog Number:
AG001AA4
Chemical Name:
1,2-Azetidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) 2-ethyl ester
CAS Number:
1391077-73-8
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD24387386
IUPAC Name:
1-O-tert-butyl 2-O-ethyl 2-methylazetidine-1,2-dicarboxylate
InChI:
InChI=1S/C12H21NO4/c1-6-16-9(14)12(5)7-8-13(12)10(15)17-11(2,3)4/h6-8H2,1-5H3
InChI Key:
SGPDJLPHUZYXCT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(C)CCN1C(=O)OC(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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