Home Nitriles 2-(3,5-dimethoxyphenyl)-2-hydroxyacetonitrile

2-(3,5-dimethoxyphenyl)-2-hydroxyacetonitrile

CAS No.:
160708-36-1
Catalog Number:
AG01A5UX
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
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Product Description
Catalog Number:
AG01A5UX
Chemical Name:
2-(3,5-dimethoxyphenyl)-2-hydroxyacetonitrile
CAS Number:
160708-36-1
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD13181151
IUPAC Name:
2-(3,5-dimethoxyphenyl)-2-hydroxyacetonitrile
InChI:
InChI=1S/C10H11NO3/c1-13-8-3-7(10(12)6-11)4-9(5-8)14-2/h3-5,10,12H,1-2H3
InChI Key:
ZWGBEAKJEFVQPW-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C(C#N)O
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties