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126496-79-5 | 1,2-Aziridinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
CAS No: 126496-79-5 Catalog No: AG000SUL MDL No:MFCD10566310
Product Description
Catalog Number:
AG000SUL
Chemical Name:
1,2-Aziridinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
CAS Number:
126496-79-5
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD10566310
IUPAC Name:
1-O-tert-butyl 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
InChI:
InChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-5-6(10)7(11)13-4/h6H,5H2,1-4H3/t6-,10?/m0/s1
InChI Key:
OHKDZMSOHBQKDL-UOQJWNSWSA-N
SMILES:
COC(=O)[C@@H]1CN1C(=O)OC(C)(C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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