| CAS Number | 53086-49-0 |
| Catalog Number | AG00VSDN(AGN-PC-0SEEN4) |
| Chemical Name | 3-(4-Ethylphenyl)butanoic acid |
| IUPAC Name | 3-(4-ethylphenyl)butanoic acid |
| InChI | InChI=1S/C12H16O2/c1-3-10-4-6-11(7-5-10)9(2)8-12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14) |
| InChI Key | FJDYPWACWUQHKF-UHFFFAOYSA-N |
| MDL Number | MFCD08282288 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | CCC1=CC=C(C=C1)C(C)CC(=O)O |
| Synonyms | 3-(4-ethylphenyl)butanoic acid,
53086-49-0,
SCHEMBL11333006,
AKOS009218975,
MCULE-1027477779,
NE18603,
NS-01839,
EN300-81889,
Z1262398514,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.258g/mol |
| Monoisotopic Mass | 192.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number