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123411-75-6 | Benzonitrile, 5-acetyl-2-(3-buten-1-yloxy)-
CAS No: 123411-75-6 Catalog No: AG000KJ0 MDL No:
Product Description
Catalog Number:
AG000KJ0
Chemical Name:
Benzonitrile, 5-acetyl-2-(3-buten-1-yloxy)-
CAS Number:
123411-75-6
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
5-acetyl-2-but-3-enoxybenzonitrile
InChI:
InChI=1S/C13H13NO2/c1-3-4-7-16-13-6-5-11(10(2)15)8-12(13)9-14/h3,5-6,8H,1,4,7H2,2H3
InChI Key:
JFCHXFFFCFMEBS-UHFFFAOYSA-N
SMILES:
C=CCCOc1ccc(cc1C#N)C(=O)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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