| CAS Number | 29264-27-5 |
| Catalog Number | AG01BCQ8(AGN-PC-0KV6IO) |
| Chemical Name | 4-Butoxy-2-hydroxybenzoic acid |
| IUPAC Name | 4-butoxy-2-hydroxybenzoic acid |
| InChI | InChI=1S/C11H14O4/c1-2-3-6-15-8-4-5-9(11(13)14)10(12)7-8/h4-5,7,12H,2-3,6H2,1H3,(H,13,14) |
| InChI Key | RNGFVIMNTYOBTK-UHFFFAOYSA-N |
| MDL Number | MFCD01099011 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | CCCCOC1=CC(O)=C(C(O)=O)C=C1 |
| Synonyms | 4-butoxy-2-hydroxybenzoic acid,
29264-27-5,
AC1MQXFX,
AC1Q2XFA,
SCHEMBL538636,
4-butoxy-2-hydroxy-benzoic acid,
2-hydroxy-4-n-butoxybenzoic acid,
ZINC5420503,
Benzoic acid, 4-butoxy-2-hydroxy-,
AKOS022650051,
MCULE-9848044824,
NE36192,
ST50451689,
Z2327040002,
AIDS343462,
CID3483955,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.229g/mol |
| Monoisotopic Mass | 210.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number