| CAS Number | 116315-07-2 |
| Catalog Number | AG01CA4T(AGN-PC-0269L0) |
| Chemical Name | 1,2-Dihydroxy-3,5-diformylbenzene |
| IUPAC Name | 4,5-dihydroxybenzene-1,3-dicarbaldehyde |
| InChI | InChI=1S/C8H6O4/c9-3-5-1-6(4-10)8(12)7(11)2-5/h1-4,11-12H |
| InChI Key | YZJVWIUMDDXVEA-UHFFFAOYSA-N |
| MDL Number | MFCD24674146 |
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.1308 |
| SMILES | OC1=C(C(=CC(=C1)C=O)C=O)O |
| Synonyms | 1,2-dihydroxy-3,5-diformylbenzene,
4,5-Dihydroxyisophthalaldehyde,
CHEMBL355736,
116315-07-2,
4,5-Dihydroxyisophtalaldehyde,
SCHEMBL1527073,
YZJVWIUMDDXVEA-UHFFFAOYSA-N,
BDBM50017860,
4,5-Dihydroxy-benzene-1,3-dicarbaldehyde,
|
| Complexity | 180 |
| 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 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number