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84926-84-1 | 4-Oxazolidinecarbonitrile, 3-methyl-5-(1-methyl-3-pentenyl)-2-oxo-
CAS No: 84926-84-1 Catalog No: AG004RNG MDL No:
Product Description
Catalog Number:
AG004RNG
Chemical Name:
4-Oxazolidinecarbonitrile, 3-methyl-5-(1-methyl-3-pentenyl)-2-oxo-
CAS Number:
84926-84-1
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
IUPAC Name:
5-hex-4-en-2-yl-3-methyl-2-oxo-1,3-oxazolidine-4-carbonitrile
InChI:
InChI=1S/C11H16N2O2/c1-4-5-6-8(2)10-9(7-12)13(3)11(14)15-10/h4-5,8-10H,6H2,1-3H3
InChI Key:
OYNVTAZKCGGGAZ-UHFFFAOYSA-N
SMILES:
CC=CCC(C1OC(=O)N(C1C#N)C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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