| CAS Number | 67127-72-4 |
| Catalog Number | AG00IBOI(AGN-PC-00KIZ9) |
| Chemical Name | 3-Ethoxy-2-hydroxybenzoic acid |
| IUPAC Name | 3-ethoxy-2-hydroxybenzoic acid |
| InChI | InChI=1S/C9H10O4/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5,10H,2H2,1H3,(H,11,12) |
| InChI Key | PKYUNJWBVAXPMG-UHFFFAOYSA-N |
| MDL Number | MFCD01412200 |
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.1733 |
| SMILES | C(C)OC=1C(=C(C(=O)O)C=CC1)O |
| Synonyms | 3-Ethoxy-2-hydroxybenzoic acid,
67127-72-4,
3-ETHOXY-2-HYDROXY-BENZOIC ACID,
SCHEMBL539003,
CTK6G2821,
Benzoic acid, 3-ethoxy-2-hydroxy-,
MFCD01412200,
ZINC20593692,
CS-0038621,
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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 | 2.3 |
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Certificate of Analysis
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