Home Other Building Blocks 2-(2-cyanophenoxy)-3-methylbutanoic acid

2-(2-cyanophenoxy)-3-methylbutanoic acid

CAS No.:
1016502-71-8
Catalog Number:
AG019WIT
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019WIT
Chemical Name:
2-(2-cyanophenoxy)-3-methylbutanoic acid
CAS Number:
1016502-71-8
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD09810533
IUPAC Name:
2-(2-cyanophenoxy)-3-methylbutanoic acid
InChI:
InChI=1S/C12H13NO3/c1-8(2)11(12(14)15)16-10-6-4-3-5-9(10)7-13/h3-6,8,11H,1-2H3,(H,14,15)
InChI Key:
JVJCYBNJMOPIMA-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OC(C(=O)O)C(C)C
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties