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3088-44-6 | Propanenitrile, 3-(2-propen-1-yloxy)-
CAS No: 3088-44-6 Catalog No: AG0031K3 MDL No:
Product Description
Catalog Number:
AG0031K3
Chemical Name:
Propanenitrile, 3-(2-propen-1-yloxy)-
CAS Number:
3088-44-6
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
IUPAC Name:
3-prop-2-enoxypropanenitrile
InChI:
InChI=1S/C6H9NO/c1-2-5-8-6-3-4-7/h2H,1,3,5-6H2
InChI Key:
IXXSWIVBWMKRHZ-UHFFFAOYSA-N
SMILES:
C=CCOCCC#N
UNII:
UV31GJR23O
NSC Number:
2291
Properties
Complexity:
100
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:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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