Home Other Building Blocks 2-(2,5-dimethylphenyl)-3-methylbutanoic acid

2-(2,5-dimethylphenyl)-3-methylbutanoic acid

CAS No.:
854856-05-6
Catalog Number:
AG01DWPX
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
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Product Description
Catalog Number:
AG01DWPX
Chemical Name:
2-(2,5-dimethylphenyl)-3-methylbutanoic acid
CAS Number:
854856-05-6
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD11590440
IUPAC Name:
2-(2,5-dimethylphenyl)-3-methylbutanoic acid
InChI:
InChI=1S/C13H18O2/c1-8(2)12(13(14)15)11-7-9(3)5-6-10(11)4/h5-8,12H,1-4H3,(H,14,15)
InChI Key:
LZMMILZUEOICIQ-UHFFFAOYSA-N
SMILES:
CC(C(c1cc(C)ccc1C)C(=O)O)C
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties