Home Other Building Blocks Benzeneacetic acid, 4-ethyl-a-methyl-

Benzeneacetic acid, 4-ethyl-a-methyl-

CAS No.:
3585-52-2
Catalog Number:
AG01AA12
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG01AA12
Chemical Name:
Benzeneacetic acid, 4-ethyl-a-methyl-
CAS Number:
3585-52-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD08275594
IUPAC Name:
2-(4-ethylphenyl)propanoic acid
InChI:
InChI=1S/C11H14O2/c1-3-9-4-6-10(7-5-9)8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)
InChI Key:
VGMCZELQCNPMQV-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(C(=O)O)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:
2.7  
Properties