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68452-51-7 | Propanedinitrile, [(3,4,4-trimethyl-2-oxazolidinylidene)ethylidene]-
CAS No: 68452-51-7 Catalog No: AG006JR4 MDL No:
Product Description
Catalog Number:
AG006JR4
Chemical Name:
Propanedinitrile, [(3,4,4-trimethyl-2-oxazolidinylidene)ethylidene]-
CAS Number:
68452-51-7
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
2-[2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)ethylidene]propanedinitrile
InChI:
InChI=1S/C11H13N3O/c1-11(2)8-15-10(14(11)3)5-4-9(6-12)7-13/h4-5H,8H2,1-3H3
InChI Key:
QJLBHHFKYPOPSJ-UHFFFAOYSA-N
SMILES:
CN1C(=CC=C(C#N)C#N)OCC1(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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