| CAS Number | 148063-59-6 |
| Catalog Number | AG00ARYB(AGN-PC-008LLW) |
| Chemical Name | 1,4-Benzenedicarboxaldehyde, 2,3-dihydroxy- |
| IUPAC Name | 2,3-dihydroxyterephthalaldehyde |
| InChI | InChI=1S/C8H6O4/c9-3-5-1-2-6(4-10)8(12)7(5)11/h1-4,11-12H |
| InChI Key | RDXRJTTYBZXJNE-UHFFFAOYSA-N |
| MDL Number | MFCD24394548 |
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.1308 |
| SMILES | O=CC1=CC=C(C(O)=C1O)C=O |
| Synonyms | 2,3-Dihydroxyterephthalaldehyde,
148063-59-6,
1,4-Benzenedicarboxaldehyde, 2,3-dihydroxy-,
SCHEMBL17541404,
MFCD24394548,
ZINC34578645,
AKOS027325677,
2,3-dihydroxybenzene-1,4-dicarbaldehyde,
AK320139,
BC600227,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.132g/mol |
| Monoisotopic Mass | 166.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number