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1315000-92-0 | 1,2-Aziridinedicarboxylic acid, 1-(1,1-diMethylethyl) ester, (2S)-
CAS No: 1315000-92-0 Catalog No: AG000ZAA MDL No:MFCD11519231
Product Description
Catalog Number:
AG000ZAA
Chemical Name:
1,2-Aziridinedicarboxylic acid, 1-(1,1-diMethylethyl) ester, (2S)-
CAS Number:
1315000-92-0
Molecular Formula:
C8H12NO4-
Molecular Weight:
186.1852
MDL Number:
MFCD11519231
IUPAC Name:
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
InChI:
InChI=1S/C8H13NO4/c1-8(2,3)13-7(12)9-4-5(9)6(10)11/h5H,4H2,1-3H3,(H,10,11)/t5-,9?/m0/s1
InChI Key:
IMJKDYRGASHUBX-GXRJOMEUSA-N
SMILES:
O=C(N1C[C@H]1C(=O)[O-])OC(C)(C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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