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88126-83-4 | 2-Butenedioic acid, 2,3-dithiocyanato-, diethyl ester, (E)-
CAS No: 88126-83-4 Catalog No: AG004FHX MDL No:
Product Description
Catalog Number:
AG004FHX
Chemical Name:
2-Butenedioic acid, 2,3-dithiocyanato-, diethyl ester, (E)-
CAS Number:
88126-83-4
Molecular Formula:
C10H10N2O4S2
Molecular Weight:
286.3274
IUPAC Name:
diethyl 2,3-dithiocyanatobut-2-enedioate
InChI:
InChI=1S/C10H10N2O4S2/c1-3-15-9(13)7(17-5-11)8(18-6-12)10(14)16-4-2/h3-4H2,1-2H3
InChI Key:
YIIAXVPIKDHPQE-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C(/C(=O)OCC)\SC#N)/SC#N
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.32g/mol
Monoisotopic Mass:
286.008g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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