Home Other Building Blocks 2-(4-cyano-2-ethoxyphenoxy)acetic acid

2-(4-cyano-2-ethoxyphenoxy)acetic acid

CAS No.:
835888-68-1
Catalog Number:
AG019PGO
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
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Product Description
Catalog Number:
AG019PGO
Chemical Name:
2-(4-cyano-2-ethoxyphenoxy)acetic acid
CAS Number:
835888-68-1
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD02256179
IUPAC Name:
2-(4-cyano-2-ethoxyphenoxy)acetic acid
InChI:
InChI=1S/C11H11NO4/c1-2-15-10-5-8(6-12)3-4-9(10)16-7-11(13)14/h3-5H,2,7H2,1H3,(H,13,14)
InChI Key:
WJYZBSJPALPIQX-UHFFFAOYSA-N
SMILES:
CCOc1cc(C#N)ccc1OCC(=O)O
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties