Home Nitriles 2-(4-formylphenoxy)propanenitrile

2-(4-formylphenoxy)propanenitrile

CAS No.:
1247474-36-7
Catalog Number:
AG01AA7N
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG01AA7N
Chemical Name:
2-(4-formylphenoxy)propanenitrile
CAS Number:
1247474-36-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD16040524
IUPAC Name:
2-(4-formylphenoxy)propanenitrile
InChI:
InChI=1S/C10H9NO2/c1-8(6-11)13-10-4-2-9(7-12)3-5-10/h2-5,7-8H,1H3
InChI Key:
QNECGSPKRWDDLX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(C#N)C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties