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139097-20-4 | Acetonitrile, (5-ethyl-5-methyl-2-oxo-4-oxazolidinylidene)-, (E)- (9CI)
CAS No: 139097-20-4 Catalog No: AG00A1Q1 MDL No:
Product Description
Catalog Number:
AG00A1Q1
Chemical Name:
Acetonitrile, (5-ethyl-5-methyl-2-oxo-4-oxazolidinylidene)-, (E)- (9CI)
CAS Number:
139097-20-4
IUPAC Name:
(2E)-2-(5-ethyl-5-methyl-2-oxo-1,3-oxazolidin-4-ylidene)acetonitrile
InChI:
InChI=1S/C8H10N2O2/c1-3-8(2)6(4-5-9)10-7(11)12-8/h4H,3H2,1-2H3,(H,10,11)/b6-4+
InChI Key:
LAFSMRRWJJUUEP-GQCTYLIASA-N
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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