Home Other Building Blocks 2-methyl-3-(4-methylphenyl)propanoic acid

2-methyl-3-(4-methylphenyl)propanoic acid

CAS No.:
1012-15-3
Catalog Number:
AG01A59B
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A59B
Chemical Name:
2-methyl-3-(4-methylphenyl)propanoic acid
CAS Number:
1012-15-3
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00796497
IUPAC Name:
2-methyl-3-(4-methylphenyl)propanoic acid
InChI:
InChI=1S/C11H14O2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChI Key:
ZJBQYRLHEYPLEL-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)Cc1ccc(cc1)C
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties