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79929-69-4 | 2-Butenenitrile, 4-(ethenyloxy)-, (2E)-
CAS No: 79929-69-4 Catalog No: AG005EXL MDL No:
Product Description
Catalog Number:
AG005EXL
Chemical Name:
2-Butenenitrile, 4-(ethenyloxy)-, (2E)-
CAS Number:
79929-69-4
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
IUPAC Name:
4-ethenoxybut-2-enenitrile
InChI:
InChI=1S/C6H7NO/c1-2-8-6-4-3-5-7/h2-4H,1,6H2
InChI Key:
DRKXRCDPGQECPU-UHFFFAOYSA-N
SMILES:
C=COC/C=C/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:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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