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61310-53-0 | 3-Ethoxyacrylonitrile
CAS No: 61310-53-0 Catalog No: AG003JDO MDL No:MFCD00010193
Product Description
Catalog Number:
AG003JDO
Chemical Name:
3-Ethoxyacrylonitrile
CAS Number:
61310-53-0
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
MDL Number:
MFCD00010193
IUPAC Name:
(E)-3-ethoxyprop-2-enenitrile
InChI:
InChI=1S/C5H7NO/c1-2-7-5-3-4-6/h3,5H,2H2,1H3/b5-3+
InChI Key:
HUPVIAINOSTNBJ-HWKANZROSA-N
SMILES:
CCO/C=C/C#N
Properties
Complexity:
97.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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