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Home Other Building Blocks Propanedioic acid, 2,2-bis(2-cyanoethyl)-, 1,3-diethyl ester

Propanedioic acid, 2,2-bis(2-cyanoethyl)-, 1,3-diethyl ester

CAS No.:
1444-05-9
Catalog Number:
AG001JGT
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
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Product Description
Catalog Number:
AG001JGT
Chemical Name:
Propanedioic acid, 2,2-bis(2-cyanoethyl)-, 1,3-diethyl ester
CAS Number:
1444-05-9
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
MDL Number:
MFCD00013831
IUPAC Name:
diethyl 2,2-bis(2-cyanoethyl)propanedioate
InChI:
InChI=1S/C13H18N2O4/c1-3-18-11(16)13(7-5-9-14,8-6-10-15)12(17)19-4-2/h3-8H2,1-2H3
InChI Key:
KAESGTBHXNCAHO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(CCC#N)CCC#N
EC Number:
215-886-6
NSC Number:
3669
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties