| CAS Number | 10286-57-4 |
| Catalog Number | AG008TP9(AGN-PC-0C3X24) |
| Chemical Name | 5-(Hydroxymethyl)-2-methoxybenzoic acid |
| IUPAC Name | 5-(hydroxymethyl)-2-methoxybenzoic acid |
| InChI | InChI=1S/C9H10O4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,10H,5H2,1H3,(H,11,12) |
| InChI Key | CBRWKHMYFZHJPD-UHFFFAOYSA-N |
| MDL Number | MFCD21193879 |
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.1733 |
| SMILES | O=C(C1C(OC)=CC=C(CO)C=1)O |
| Synonyms | 5-(hydroxymethyl)-2-methoxybenzoic acid,
10286-57-4,
SCHEMBL12837926,
CS-M3516,
o-Anisic acid, 5-(hydroxymethyl)-,
AKOS014674482,
CS-15075,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.175g/mol |
| Monoisotopic Mass | 182.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number