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26345-13-1 | Cyclohexanecarboxylic acid, 2-(dicyanomethylene)-, ethyl ester
CAS No: 26345-13-1 Catalog No: AG002STW MDL No:
Product Description
Catalog Number:
AG002STW
Chemical Name:
Cyclohexanecarboxylic acid, 2-(dicyanomethylene)-, ethyl ester
CAS Number:
26345-13-1
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
ethyl 2-(dicyanomethylidene)cyclohexane-1-carboxylate
InChI:
InChI=1S/C12H14N2O2/c1-2-16-12(15)11-6-4-3-5-10(11)9(7-13)8-14/h11H,2-6H2,1H3
InChI Key:
SNWYSUHMRARRLN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCCC1=C(C#N)C#N
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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