Home Other Building Blocks Benzenepropanoic acid, 2,4-dimethyl-

Benzenepropanoic acid, 2,4-dimethyl-

CAS No.:
1811-85-4
Catalog Number:
AG0022OK
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG0022OK
Chemical Name:
Benzenepropanoic acid, 2,4-dimethyl-
CAS Number:
1811-85-4
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00796498
IUPAC Name:
3-(2,4-dimethylphenyl)propanoic acid
InChI:
InChI=1S/C11H14O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChI Key:
KNPUGELUZIPXCW-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1C)C
Properties
Complexity:
177  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties