Home Nitriles 3-ethyl-4-hydroxybenzonitrile

3-ethyl-4-hydroxybenzonitrile

CAS No.:
4997-55-1
Catalog Number:
AG00DL19
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
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Product Description
Catalog Number:
AG00DL19
Chemical Name:
3-ethyl-4-hydroxybenzonitrile
CAS Number:
4997-55-1
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD16997588
IUPAC Name:
3-ethyl-4-hydroxybenzonitrile
InChI:
InChI=1S/C9H9NO/c1-2-8-5-7(6-10)3-4-9(8)11/h3-5,11H,2H2,1H3
InChI Key:
WOGUHLJHWBRZST-UHFFFAOYSA-N
SMILES:
CCc1cc(C#N)ccc1O
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties