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104597-98-0 | (S);-1-Benzyl 2-methyl aziridine-1,2-dicarboxylate
CAS No: 104597-98-0 Catalog No: AG003CJP MDL No:MFCD06799020
Product Description
Catalog Number:
AG003CJP
Chemical Name:
(S);-1-Benzyl 2-methyl aziridine-1,2-dicarboxylate
CAS Number:
104597-98-0
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD06799020
IUPAC Name:
1-O-benzyl 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
InChI:
InChI=1S/C12H13NO4/c1-16-11(14)10-7-13(10)12(15)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,13?/m0/s1
InChI Key:
GTZJUBQWCWZING-NKUHCKNESA-N
SMILES:
COC(=O)[C@@H]1CN1C(=O)OCc1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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