| CAS Number | 1038374-86-5 |
| Catalog Number | AG00HA6T(AGN-PC-0WQVN5) |
| Chemical Name | 2-Hydroxy-3-(2-Hydroxyethoxy)Benzoic Acid |
| IUPAC Name | 2-hydroxy-3-(2-hydroxyethoxy)benzoic acid |
| InChI | InChI=1S/C9H10O5/c10-4-5-14-7-3-1-2-6(8(7)11)9(12)13/h1-3,10-11H,4-5H2,(H,12,13) |
| InChI Key | REOKCQWZJVFHKN-UHFFFAOYSA-N |
| MDL Number | MFCD11203634 |
| Molecular Formula | C9H10O5 |
| Molecular Weight | 198.1727 |
| SMILES | OCCOc1cccc(C(O)=O)c1O |
| Synonyms | 2-hydroxy-3-(2-hydroxyethoxy)benzoic acid,
1038374-86-5,
MFCD11203634,
ZINC20593713,
CS-0038622,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.174g/mol |
| Monoisotopic Mass | 198.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number