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89482-44-0 | Acetonitrile, [(1,3-dihydro-1,1,3,3-tetramethyl-2H-isoindol-2-yl)oxy]-
CAS No: 89482-44-0 Catalog No: AG00422L MDL No:
Product Description
Catalog Number:
AG00422L
Chemical Name:
Acetonitrile, [(1,3-dihydro-1,1,3,3-tetramethyl-2H-isoindol-2-yl)oxy]-
CAS Number:
89482-44-0
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
2-(1,1,3,3-tetramethylisoindol-2-yl)oxyacetonitrile
InChI:
InChI=1S/C14H18N2O/c1-13(2)11-7-5-6-8-12(11)14(3,4)16(13)17-10-9-15/h5-8H,10H2,1-4H3
InChI Key:
MJMDRDDKIMAUBN-UHFFFAOYSA-N
SMILES:
N#CCON1C(C)(C)c2c(C1(C)C)cccc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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