Home Nitriles 3-(2,3-dihydro-1-benzofuran-5-yl)propanenitrile

3-(2,3-dihydro-1-benzofuran-5-yl)propanenitrile

CAS No.:
135634-51-4
Catalog Number:
AG01ACX7
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
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Product Description
Catalog Number:
AG01ACX7
Chemical Name:
3-(2,3-dihydro-1-benzofuran-5-yl)propanenitrile
CAS Number:
135634-51-4
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD09744608
IUPAC Name:
3-(2,3-dihydro-1-benzofuran-5-yl)propanenitrile
InChI:
InChI=1S/C11H11NO/c12-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h3-4,8H,1-2,5,7H2
InChI Key:
VLGNWVGVGYXYBP-UHFFFAOYSA-N
SMILES:
N#CCCc1ccc2c(c1)CCO2
Properties
Complexity:
217  
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:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties