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116850-90-9 | 2,2-Aziridinedicarboxylic acid, 2-methyl ester
CAS No: 116850-90-9 Catalog No: AG000DBS MDL No:
Product Description
Catalog Number:
AG000DBS
Chemical Name:
2,2-Aziridinedicarboxylic acid, 2-methyl ester
CAS Number:
116850-90-9
Molecular Formula:
C5H6NO4-
Molecular Weight:
144.1054
IUPAC Name:
2-methoxycarbonylaziridine-2-carboxylic acid
InChI:
InChI=1S/C5H7NO4/c1-10-4(9)5(2-6-5)3(7)8/h6H,2H2,1H3,(H,7,8)
InChI Key:
YHZSPRDNFYFALX-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1(CN1)C(=O)OC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.114g/mol
Monoisotopic Mass:
145.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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