Home Nitriles 4-(3-Hydroxypropyl)benzonitrile

4-(3-Hydroxypropyl)benzonitrile

CAS No.:
83101-12-6
Catalog Number:
AG004WRR
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$144
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Product Description
Catalog Number:
AG004WRR
Chemical Name:
4-(3-Hydroxypropyl)benzonitrile
CAS Number:
83101-12-6
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD09028771
IUPAC Name:
4-(3-hydroxypropyl)benzonitrile
InChI:
InChI=1S/C10H11NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h3-6,12H,1-2,7H2
InChI Key:
DLSYBKFKTWXZMU-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1)C#N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties