Home Nitriles 4-(2-phenylethoxy)butanenitrile

4-(2-phenylethoxy)butanenitrile

CAS No.:
1152586-72-5
Catalog Number:
AG01AHW3
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
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Product Description
Catalog Number:
AG01AHW3
Chemical Name:
4-(2-phenylethoxy)butanenitrile
CAS Number:
1152586-72-5
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD10693565
IUPAC Name:
4-(2-phenylethoxy)butanenitrile
InChI:
InChI=1S/C12H15NO/c13-9-4-5-10-14-11-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8,10-11H2
InChI Key:
JXEANTJARTVYBO-UHFFFAOYSA-N
SMILES:
N#CCCCOCCc1ccccc1
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties