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833447-40-8 | 2-Butenedioic acid, 2,3-dicyano-, bis[2-(acetyloxy)ethyl] ester, (2E)-
CAS No: 833447-40-8 Catalog No: AG004SRX MDL No:
Product Description
Catalog Number:
AG004SRX
Chemical Name:
2-Butenedioic acid, 2,3-dicyano-, bis[2-(acetyloxy)ethyl] ester, (2E)-
CAS Number:
833447-40-8
Molecular Formula:
C14H14N2O8
Molecular Weight:
338.2696
IUPAC Name:
bis(2-acetyloxyethyl) 2,3-dicyanobut-2-enedioate
InChI:
InChI=1S/C14H14N2O8/c1-9(17)21-3-5-23-13(19)11(7-15)12(8-16)14(20)24-6-4-22-10(2)18/h3-6H2,1-2H3
InChI Key:
SUPPFDPVCXNVTJ-UHFFFAOYSA-N
SMILES:
N#C/C(=C(\C(=O)OCCOC(=O)C)/C#N)/C(=O)OCCOC(=O)C
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.272g/mol
Monoisotopic Mass:
338.075g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
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