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88456-27-3 | 2-Propenenitrile, 3-ethoxy-2-methyl-, (E)-
CAS No: 88456-27-3 Catalog No: AG004DO9 MDL No:
Product Description
Catalog Number:
AG004DO9
Chemical Name:
2-Propenenitrile, 3-ethoxy-2-methyl-, (E)-
CAS Number:
88456-27-3
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
IUPAC Name:
3-ethoxy-2-methylprop-2-enenitrile
InChI:
InChI=1S/C6H9NO/c1-3-8-5-6(2)4-7/h5H,3H2,1-2H3
InChI Key:
JFBHVVYTNQTFOR-UHFFFAOYSA-N
SMILES:
C/C(=C\OCC)/C#N
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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