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127700-62-3 | 1,2-Aziridinedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) ester
CAS No: 127700-62-3 Catalog No: AG000XBK MDL No:
Product Description
Catalog Number:
AG000XBK
Chemical Name:
1,2-Aziridinedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) ester
CAS Number:
127700-62-3
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
IUPAC Name:
ditert-butyl aziridine-1,2-dicarboxylate
InChI:
InChI=1S/C12H21NO4/c1-11(2,3)16-9(14)8-7-13(8)10(15)17-12(4,5)6/h8H,7H2,1-6H3
InChI Key:
HADPXKYCDSMWJQ-UHFFFAOYSA-N
SMILES:
O=C(N1CC1C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
324
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:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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