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161637-21-4 | Benzonitrile, 3-(3-buten-1-yl)-
CAS No: 161637-21-4 Catalog No: AG001VRD MDL No:
Product Description
Catalog Number:
AG001VRD
Chemical Name:
Benzonitrile, 3-(3-buten-1-yl)-
CAS Number:
161637-21-4
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
IUPAC Name:
3-but-3-enylbenzonitrile
InChI:
InChI=1S/C11H11N/c1-2-3-5-10-6-4-7-11(8-10)9-12/h2,4,6-8H,1,3,5H2
InChI Key:
SKGMCXRCDBAACB-UHFFFAOYSA-N
SMILES:
C=CCCc1cccc(c1)C#N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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