| CAS Number | 61227-25-6 |
| Catalog Number | AG00EYMM(AGN-PC-01WEEG) |
| Chemical Name | 3-HYDROXY-6-METHOXYBENZOIC ACID |
| IUPAC Name | 5-hydroxy-2-methoxybenzoic acid |
| InChI | InChI=1S/C8H8O4/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,9H,1H3,(H,10,11) |
| InChI Key | FXMQSVMVTHLCSF-UHFFFAOYSA-N |
| MDL Number | MFCD10698756 |
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.1467 |
| SMILES | O=C(O)C1=CC(O)=CC=C1OC |
| Synonyms | 5-Hydroxy-2-methoxybenzoic acid,
61227-25-6,
3-Hydroxy-6-methoxybenzoic acid,
Benzoic acid, 5-hydroxy-2-methoxy-,
SCHEMBL536099,
2-Methoxy-5-hydroxybenzoic Acid,
CTK2E4361,
DTXSID10594102,
5-Hydroxy-2-methoxy benzoic acid,
FXMQSVMVTHLCSF-UHFFFAOYSA-N,
MFCD10698756,
ZINC13481458,
AKOS006304868,
MB08752,
MCULE-3339201501,
NE39755,
AJ-63910,
TL8003887,
A1-11638,
Z1744713756,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.148g/mol |
| Monoisotopic Mass | 168.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number