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87573-34-0 | 2,4-Pentadienenitrile, 2-(acetyloxy)-, (E)-
CAS No: 87573-34-0 Catalog No: AG004MDW MDL No:
Product Description
Catalog Number:
AG004MDW
Chemical Name:
2,4-Pentadienenitrile, 2-(acetyloxy)-, (E)-
CAS Number:
87573-34-0
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
IUPAC Name:
1-cyanobuta-1,3-dienyl acetate
InChI:
InChI=1S/C7H7NO2/c1-3-4-7(5-8)10-6(2)9/h3-4H,1H2,2H3
InChI Key:
IQWZATWHQKVZEL-UHFFFAOYSA-N
SMILES:
CC(=O)O/C(=C/C=C)/C#N
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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