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129075-84-9 | Benzenepropanoic acid, 2-ethyl-
CAS No: 129075-84-9 Catalog No: AG000YUD MDL No:
Product Description
Catalog Number:
AG000YUD
Chemical Name:
Benzenepropanoic acid, 2-ethyl-
CAS Number:
129075-84-9
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
3-(2-ethylphenyl)propanoic acid
InChI:
InChI=1S/C11H14O2/c1-2-9-5-3-4-6-10(9)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChI Key:
URITYXSLGYPLMS-UHFFFAOYSA-N
SMILES:
CCc1ccccc1CCC(=O)O
NSC Number:
73041
Properties
Complexity:
166
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:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Concise and efficient asymmetric synthesis of (S)-2-ethylphenylpropanoic acid derivatives: dual agonists for human peroxisome proliferator-activated receptor alpha and delta. | Bioorganic & medicinal chemistry letters 20060215 |
| Efficient asymmetric synthesis of (S)-2-ethylphenylpropanoic acid derivative, a selective agonist for human peroxisome proliferator-activated receptor alpha. | Bioorganic & medicinal chemistry letters 20020819 |
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