Home Other Building Blocks 2-[3-methyl-4-(propan-2-yl)phenoxy]propanoic acid

2-[3-methyl-4-(propan-2-yl)phenoxy]propanoic acid

CAS No.:
92156-88-2
Catalog Number:
AG019V8B
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019V8B
Chemical Name:
2-[3-methyl-4-(propan-2-yl)phenoxy]propanoic acid
CAS Number:
92156-88-2
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD02283427
IUPAC Name:
2-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
InChI:
InChI=1S/C13H18O3/c1-8(2)12-6-5-11(7-9(12)3)16-10(4)13(14)15/h5-8,10H,1-4H3,(H,14,15)
InChI Key:
JQOLHHYVSCEUJO-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(c(c1)C)C(C)C)C
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties