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177473-22-2 | 2,3-Aziridinedicarboxylic acid, 2,3-dimethyl ester
CAS No: 177473-22-2 Catalog No: AG0025BQ MDL No:MFCD12913262
Product Description
Catalog Number:
AG0025BQ
Chemical Name:
2,3-Aziridinedicarboxylic acid, 2,3-dimethyl ester
CAS Number:
177473-22-2
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
MDL Number:
MFCD12913262
IUPAC Name:
dimethyl aziridine-2,3-dicarboxylate
InChI:
InChI=1S/C6H9NO4/c1-10-5(8)3-4(7-3)6(9)11-2/h3-4,7H,1-2H3
InChI Key:
KVPCJOIALQVHIX-UHFFFAOYSA-N
SMILES:
COC(=O)C1NC1C(=O)OC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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