| CAS Number | 22304-67-2 |
| Catalog Number | AG007OVV(AGN-PC-0NJB4W) |
| Chemical Name | 1,3-Benzenedicarboxaldehyde,4,6-dihydroxy-5-methyl- |
| IUPAC Name | 4,6-dihydroxy-5-methylbenzene-1,3-dicarbaldehyde |
| InChI | InChI=1S/C9H8O4/c1-5-8(12)6(3-10)2-7(4-11)9(5)13/h2-4,12-13H,1H3 |
| InChI Key | PBDGBKWOAPXYHT-UHFFFAOYSA-N |
| MDL Number | MFCD11505923 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | Cc1c(c(cc(c1O)C=O)C=O)O |
| Synonyms | 22304-67-2,
4,6-DIHYDROXY-5-METHYL-1,3-DIFORMYL BENZENE,
4,6-Dihydroxy-5-methylisophthalaldehyde,
4,6-dihydroxy-5-methylbenzene-1,3-dicarbaldehyde,
CTK4E9154,
DTXSID30501590,
FCH890888,
ZINC30677896,
AKOS006325245,
ACM22304672,
C-2290,
J-014632,
1,3-Benzenedicarboxaldehyde,4,6-dihydroxy-5-methyl-,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.159g/mol |
| Monoisotopic Mass | 180.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number