| CAS Number | 65623-82-7 |
| Catalog Number | AG00FC4M(AGN-PC-0KF0HR) |
| Chemical Name | 4-(4-Acetyl-phenoxy)-butyric acid |
| IUPAC Name | 4-(4-acetylphenoxy)butanoic acid |
| InChI | InChI=1S/C12H14O4/c1-9(13)10-4-6-11(7-5-10)16-8-2-3-12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15) |
| InChI Key | FNHIEZKOCYDCOH-UHFFFAOYSA-N |
| MDL Number | MFCD03658048 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | C(C)(=O)C1=CC=C(OCCCC(=O)O)C=C1 |
| Synonyms | 4-(4-Acetyl-phenoxy)-butyric acid,
65623-82-7,
4-(4-acetylphenoxy)butanoic Acid,
AC1Q1JUH,
SCHEMBL445511,
AC1M607V,
4-(p-Acetylphenoxy)butyric acid,
DTXSID80368170,
FNHIEZKOCYDCOH-UHFFFAOYSA-N,
4-(4-acetyl-phenoxy)butyric acid,
ZINC3220805,
KM0936,
MFCD03658048,
AKOS000103090,
MCULE-7937091475,
BB 0218594,
EN300-00272,
SR-01000036227,
SR-01000036227-1,
Z56858244,
CID2339350,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number