Home Nitriles 3-hydroxy-3-(4-methoxyphenyl)butanenitrile

3-hydroxy-3-(4-methoxyphenyl)butanenitrile

CAS No.:
600735-58-8
Catalog Number:
AG01BHYF
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
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Product Description
Catalog Number:
AG01BHYF
Chemical Name:
3-hydroxy-3-(4-methoxyphenyl)butanenitrile
CAS Number:
600735-58-8
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD21801130
IUPAC Name:
3-hydroxy-3-(4-methoxyphenyl)butanenitrile
InChI:
InChI=1S/C11H13NO2/c1-11(13,7-8-12)9-3-5-10(14-2)6-4-9/h3-6,13H,7H2,1-2H3
InChI Key:
YWNKLKNTAAMQFN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(CC#N)(O)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties