| CAS Number | 19988-45-5 |
| Catalog Number | AG00C2FC(AGN-PC-0WOYVQ) |
| Chemical Name | 2-(2,3-Dihydroxyphenyl)acetic acid |
| IUPAC Name | 2-(2,3-dihydroxyphenyl)acetic acid |
| InChI | InChI=1S/C8H8O4/c9-6-3-1-2-5(8(6)12)4-7(10)11/h1-3,9,12H,4H2,(H,10,11) |
| InChI Key | KEQGFEVKJCGTKB-UHFFFAOYSA-N |
| MDL Number | MFCD20641397 |
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.1467 |
| SMILES | OC(CC1=C(O)C(O)=CC=C1)=O |
| Synonyms | 2-(2,3-dihydroxyphenyl)acetic acid,
2,3-dihydroxyphenylacetic acid,
19988-45-5,
Brenzcatechinmonoacetsaure,
SCHEMBL8791,
CHEMBL498525,
2,3-Dihydroxy-benzeneacetic acid,
(2,3-Dihydroxyphenyl)acetic acid,
ZINC39235073,
AKOS022637515,
SC-51736,
FT-0667150,
F1905-8720,
|
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.148g/mol |
| Monoisotopic Mass | 168.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number