| CAS Number | 93044-93-0 |
| Catalog Number | AG01AFC0 |
| Chemical Name | 4-(4-hydroxyphenoxy)-3-methylbenzoic acid |
| IUPAC Name | 4-(4-hydroxyphenoxy)-3-methylbenzoic acid |
| InChI | InChI=1S/C14H12O4/c1-9-8-10(14(16)17)2-7-13(9)18-12-5-3-11(15)4-6-12/h2-8,15H,1H3,(H,16,17) |
| InChI Key | ALBZXJSXXACRPG-UHFFFAOYSA-N |
| MDL Number | MFCD27500807 |
| Molecular Formula | C14H12O4 |
| Molecular Weight | 244.2427 |
| SMILES | CC1=C(OC2=CC=C(O)C=C2)C=CC(C(O)=O)=C1 |
| Synonyms | 4-(4-hydroxyphenoxy)-3-methylbenzoic acid,
93044-93-0,
ZINC95883817,
AKOS033595774,
MCULE-9095153789,
NE54953,
Z1815157412,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.246g/mol |
| Monoisotopic Mass | 244.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number