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1021175-71-2 | Propanedioic acid, 2-[(2-cyanoethenyl)amino]-, 1,3-diethyl ester
CAS No: 1021175-71-2 Catalog No: AG0006NG MDL No:
Product Description
Catalog Number:
AG0006NG
Chemical Name:
Propanedioic acid, 2-[(2-cyanoethenyl)amino]-, 1,3-diethyl ester
CAS Number:
1021175-71-2
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
IUPAC Name:
diethyl 2-(2-cyanoethenylamino)propanedioate
InChI:
InChI=1S/C10H14N2O4/c1-3-15-9(13)8(10(14)16-4-2)12-7-5-6-11/h5,7-8,12H,3-4H2,1-2H3
InChI Key:
DRRYQZVIVAXIKJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)NC=CC#N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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