| CAS Number | 69989-75-9 |
| Catalog Number | AG003U8L(AGN-PC-0TXGAS) |
| Chemical Name | 5-[1-(3-Carboxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Ethyl]-2-Hydroxybenzoic Acid |
| IUPAC Name | 5-[(1E)-1-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]-2-hydroxybenzoic acid |
| InChI | InChI=1S/C16H12O6/c1-8(9-2-4-13(17)11(6-9)15(19)20)10-3-5-14(18)12(7-10)16(21)22/h2-7,17H,1H3,(H,19,20)(H,21,22)/b10-8+ |
| InChI Key | GZUNJUHSRLTITI-CSKARUKUSA-N |
| MDL Number | MFCD00059576 |
| Molecular Formula | C16H12O6 |
| Molecular Weight | 300.2629 |
| SMILES | CC(=C1C=CC(=O)C(=C1)C(=O)O)c1ccc(c(c1)C(=O)O)O |
| Synonyms | CHEMBL175241,
Senda-chrome AL,
69989-75-9,
BDBM50143425,
MFCD00059576,
ZINC28092924,
C-46670,
Senda Chrome AL [for Colorimetric Determination of Aluminum],
5-{1-[3-Carboxy-4-oxo-cyclohexa-2,5-dien-(E)-ylidene]-ethyl}-2-hydroxy-benzoic acid,
Senda Chrome AL,
CID10108804,
M0225,
5-[(1E)-1-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]-2-hydroxy-benzoic Acid,
5-[1-(3-Carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)ethyl]-2-hydroxybenzoic Acid,
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| Complexity | 610 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 300.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.266g/mol |
| Monoisotopic Mass | 300.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number