| CAS Number | 104216-85-5 |
| Catalog Number | AG01AALI |
| Chemical Name | 3-(2-Methoxyphenyl)butanoic acid |
| IUPAC Name | 3-(2-methoxyphenyl)butanoic acid |
| InChI | InChI=1S/C11H14O3/c1-8(7-11(12)13)9-5-3-4-6-10(9)14-2/h3-6,8H,7H2,1-2H3,(H,12,13) |
| InChI Key | UKDWWUNLNDAURT-UHFFFAOYSA-N |
| MDL Number | MFCD00622132 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CC(CC(=O)O)C1=CC=CC=C1OC |
| Synonyms | 3-(2-methoxyphenyl)butanoic acid,
104216-85-5,
AC1Q44ZU,
SCHEMBL1207026,
UKDWWUNLNDAURT-UHFFFAOYSA-N,
3-(2-methoxy-phenyl)-butyric acid,
AKOS009219523,
MCULE-3185577266,
NE23601,
Benzenepropanoic acid, 2-methoxy-beta-methyl-,
EN300-68940,
Z1160899511,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number