Home Nitriles 4-(3-formylphenoxy)butanenitrile

4-(3-formylphenoxy)butanenitrile

CAS No.:
1017090-33-3
Catalog Number:
AG01A9NL
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG01A9NL
Chemical Name:
4-(3-formylphenoxy)butanenitrile
CAS Number:
1017090-33-3
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD09930002
IUPAC Name:
4-(3-formylphenoxy)butanenitrile
InChI:
InChI=1S/C11H11NO2/c12-6-1-2-7-14-11-5-3-4-10(8-11)9-13/h3-5,8-9H,1-2,7H2
InChI Key:
UQSURVXPSLHIFQ-UHFFFAOYSA-N
SMILES:
N#CCCCOc1cccc(c1)C=O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties