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873798-97-1 | Butanedioic acid, (2-methyl-1-aziridinyl)-, diethyl ester
CAS No: 873798-97-1 Catalog No: AG004GV7 MDL No:
Product Description
Catalog Number:
AG004GV7
Chemical Name:
Butanedioic acid, (2-methyl-1-aziridinyl)-, diethyl ester
CAS Number:
873798-97-1
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
IUPAC Name:
diethyl 2-(2-methylaziridin-1-yl)butanedioate
InChI:
InChI=1S/C11H19NO4/c1-4-15-10(13)6-9(11(14)16-5-2)12-7-8(12)3/h8-9H,4-7H2,1-3H3
InChI Key:
HNZWXCLPYMLZNN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(N1CC1C)C(=O)OCC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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