Home Other Building Blocks 2-[4-(cyanomethyl)phenoxy]acetic acid

2-[4-(cyanomethyl)phenoxy]acetic acid

CAS No.:
926199-29-3
Catalog Number:
AG019XMY
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
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Product Description
Catalog Number:
AG019XMY
Chemical Name:
2-[4-(cyanomethyl)phenoxy]acetic acid
CAS Number:
926199-29-3
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD09047257
IUPAC Name:
2-[4-(cyanomethyl)phenoxy]acetic acid
InChI:
InChI=1S/C10H9NO3/c11-6-5-8-1-3-9(4-2-8)14-7-10(12)13/h1-4H,5,7H2,(H,12,13)
InChI Key:
YMTHHVYLFBCCKS-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OCC(=O)O
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties