| CAS Number | 71128-83-1 |
| Catalog Number | AG00FE0E(AGN-PC-0K6HUR) |
| Chemical Name | 2-Methoxy-5-methylbenzene-1,3-dicarbaldehyde |
| IUPAC Name | 2-methoxy-5-methylbenzene-1,3-dicarbaldehyde |
| InChI | InChI=1S/C10H10O3/c1-7-3-8(5-11)10(13-2)9(4-7)6-12/h3-6H,1-2H3 |
| InChI Key | MHSIFDSGOLPDRK-UHFFFAOYSA-N |
| MDL Number | MFCD00135126 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | COC1=C(C=O)C=C(C)C=C1C=O |
| Synonyms | 2-methoxy-5-methylbenzene-1,3-dicarbaldehyde,
71128-83-1,
2-METHOXY-5-METHYLISOPHTHALALDEHYDE,
AC1LTKJM,
2-Methoxy-5-methyl-benzene-1,3-dicarbaldehyde,
SCHEMBL6737227,
CTK9A2097,
DTXSID80364192,
ZINC1462860,
SBB038048,
AKOS000267893,
ST50036750,
F0848-0322,
ZINC01462860,
CID1534766,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.187g/mol |
| Monoisotopic Mass | 178.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number