Home Other Building Blocks 3-(3,4-dimethylphenoxy)propanoic acid

3-(3,4-dimethylphenoxy)propanoic acid

CAS No.:
25173-39-1
Catalog Number:
AG019LAQ
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG019LAQ
Chemical Name:
3-(3,4-dimethylphenoxy)propanoic acid
CAS Number:
25173-39-1
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD09044400
IUPAC Name:
3-(3,4-dimethylphenoxy)propanoic acid
InChI:
InChI=1S/C11H14O3/c1-8-3-4-10(7-9(8)2)14-6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChI Key:
YDFLEOPCOYQELR-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1ccc(c(c1)C)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties