| CAS Number | 158089-31-7 |
| Catalog Number | AG001PZD(AGN-PC-0395KU) |
| Chemical Name | Benzoic acid, 4-(hydroxymethyl)-2-methoxy- |
| IUPAC Name | 4-(hydroxymethyl)-2-methoxybenzoic acid |
| InChI | InChI=1S/C9H10O4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3,(H,11,12) |
| InChI Key | CCGBZHBLBWASBY-UHFFFAOYSA-N |
| MDL Number | MFCD20639155 |
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.1733 |
| SMILES | COC1=C(C(O)=O)C=CC(CO)=C1 |
| Synonyms | 4-(hydroxymethyl)-2-methoxybenzoic acid,
158089-31-7,
Benzoic acid, 4-(hydroxymethyl)-2-methoxy-,
SCHEMBL3914968,
CTK0B0373,
DTXSID10611681,
CCGBZHBLBWASBY-UHFFFAOYSA-N,
ZINC95883979,
4-Hydroxymethyl-2-methoxybenzoic acid,
AKOS027385272,
Z2510258250,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number