| CAS Number | 15540-79-1 |
| Catalog Number | AG01B81I(AGN-PC-0WAJ9G) |
| Chemical Name | 4-Amino-6-Hydroxybenzene-1,3-Dicarboxylic Acid |
| IUPAC Name | 4-amino-6-hydroxybenzene-1,3-dicarboxylic acid |
| InChI | InChI=1S/C8H7NO5/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,10H,9H2,(H,11,12)(H,13,14) |
| InChI Key | BLBBHFYLFBKYNA-UHFFFAOYSA-N |
| MDL Number | MFCD20638466 |
| Molecular Formula | C8H7NO5 |
| Molecular Weight | 197.1449 |
| SMILES | O=C(C1=C(O)C=C(N)C(C(O)=O)=C1)O |
| Synonyms | 4-amino-6-hydroxybenzene-1,3-dicarboxylic acid,
15540-79-1,
4-Amino-6-hydroxyisophthalic acid,
AC1LA0B1,
4-Amino-6-hydroxy isophthalic acid,
ZINC5932710,
AKOS022645532,
4-amino-6-hydroxy-benzene-1,3-dicarboxylic acid,
Z1998636311,
AIDS020110,
4-amino-6-hydroxy-isophthalic acid,
CID459347,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.146g/mol |
| Monoisotopic Mass | 197.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number