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

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

CAS No.:
115109-49-4
Catalog Number:
AG019PHW
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
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Product Description
Catalog Number:
AG019PHW
Chemical Name:
2-(4-cyano-2-methoxyphenoxy)acetic acid
CAS Number:
115109-49-4
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD01466078
IUPAC Name:
2-(4-cyano-2-methoxyphenoxy)acetic acid
InChI:
InChI=1S/C10H9NO4/c1-14-9-4-7(5-11)2-3-8(9)15-6-10(12)13/h2-4H,6H2,1H3,(H,12,13)
InChI Key:
GNPBJHOKFMAJDI-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1OCC(=O)O
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties