| CAS Number | 84738-35-2 |
| Catalog Number | AG003N15(AGN-PC-0001RU) |
| Chemical Name | 6,7-Dihydroxycoumarin-3-carboxylic Acid |
| IUPAC Name | 6,7-dihydroxy-2-oxochromene-3-carboxylic acid |
| InChI | InChI=1S/C10H6O6/c11-6-2-4-1-5(9(13)14)10(15)16-8(4)3-7(6)12/h1-3,11-12H,(H,13,14) |
| InChI Key | STCWBNGIVIFZHI-UHFFFAOYSA-N |
| MDL Number | MFCD18450959 |
| Molecular Formula | C10H6O6 |
| Molecular Weight | 222.1510 |
| SMILES | O=C1OC2=C(C=C(O)C(O)=C2)C=C1C(O)=O |
| Synonyms | 6,7-Dihydroxycoumarin-3-carboxylic Acid,
84738-35-2,
6,7-dihydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid,
6,7-dihydroxy-2-oxo-2h-chromene-3-carboxylic acid,
ACMC-209pw6,
SCHEMBL980268,
CTK8B2399,
DTXSID40553868,
STCWBNGIVIFZHI-UHFFFAOYSA-N,
6,7-dihydroxy-3-carboxy-coumarin,
ANW-37828,
MFCD18450959,
ZINC13337194,
AKOS022654275,
TC-126573,
D4170,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.152g/mol |
| Monoisotopic Mass | 222.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number