Home Nitriles 4-(4-hydroxybut-1-yn-1-yl)benzonitrile

4-(4-hydroxybut-1-yn-1-yl)benzonitrile

CAS No.:
679796-84-0
Catalog Number:
AG01ACY8
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
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Product Description
Catalog Number:
AG01ACY8
Chemical Name:
4-(4-hydroxybut-1-yn-1-yl)benzonitrile
CAS Number:
679796-84-0
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD16659389
IUPAC Name:
4-(4-hydroxybut-1-ynyl)benzonitrile
InChI:
InChI=1S/C11H9NO/c12-9-11-6-4-10(5-7-11)3-1-2-8-13/h4-7,13H,2,8H2
InChI Key:
XMOXFTPXOYXUGJ-UHFFFAOYSA-N
SMILES:
OCCC#Cc1ccc(cc1)C#N
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties