| CAS Number | 6555-30-2 |
| Catalog Number | AG00VSDP(AGN-PC-0TH6KQ) |
| Chemical Name | 3-(4-Methoxyphenyl)butanoic acid |
| IUPAC Name | 3-(4-methoxyphenyl)butanoic acid |
| InChI | InChI=1S/C11H14O3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13) |
| InChI Key | GTUSGMFEBAENPL-UHFFFAOYSA-N |
| MDL Number | MFCD02671263 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CC(CC(=O)O)C1=CC=C(C=C1)OC |
| Synonyms | 3-(4-Methoxyphenyl)butanoic acid,
6555-30-2,
AC1LBMYL,
SCHEMBL2207966,
CTK7A2253,
GTUSGMFEBAENPL-UHFFFAOYSA-N,
3-(4-Methoxyphenyl)butanoic acid #,
AKOS009219518,
MCULE-2901963818,
NS-01886,
(+/-)-3-(4-methoxyphenyl)butanoic acid,
W-4077,
Benzenepropanoic acid, 4-methoxy-.beta.-methyl-,
Z1350606492,
CID585489,
|
| Complexity | 183 |
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number