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1137-24-2 | Butanedioic acid, 2-(1-aziridinyl)-, 1,4-diethyl ester
CAS No: 1137-24-2 Catalog No: AG0009DA MDL No:
Product Description
Catalog Number:
AG0009DA
Chemical Name:
Butanedioic acid, 2-(1-aziridinyl)-, 1,4-diethyl ester
CAS Number:
1137-24-2
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
IUPAC Name:
diethyl 2-(aziridin-1-yl)butanedioate
InChI:
InChI=1S/C10H17NO4/c1-3-14-9(12)7-8(11-5-6-11)10(13)15-4-2/h8H,3-7H2,1-2H3
InChI Key:
XOTACAHLRMABNA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C(=O)OCC)N1CC1
NSC Number:
24023
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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