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68060-32-2

68060-32-2 | Acetonitrile, [(3-phenyl-2-propenyl)oxy]-

CAS No: 68060-32-2 Catalog No: AG006G97 MDL No:

Product Description

Catalog Number:
AG006G97
Chemical Name:
Acetonitrile, [(3-phenyl-2-propenyl)oxy]-
CAS Number:
68060-32-2
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
2-(3-phenylprop-2-enoxy)acetonitrile
InChI:
InChI=1S/C11H11NO/c12-8-10-13-9-4-7-11-5-2-1-3-6-11/h1-7H,9-10H2
InChI Key:
NCCQCIAYLKHTPZ-UHFFFAOYSA-N
SMILES:
N#CCOCC=Cc1ccccc1

Properties

Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2  

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