| CAS Number | 51689-50-0 |
| Catalog Number | AG00DNSD(AGN-PC-0D6LM7) |
| Chemical Name | 2-Methylisophthalaldehyde |
| IUPAC Name | 2-methylbenzene-1,3-dicarbaldehyde |
| InChI | InChI=1S/C9H8O2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-6H,1H3 |
| InChI Key | DPHHDYGAXAVFIA-UHFFFAOYSA-N |
| MDL Number | MFCD18805375 |
| Molecular Formula | C9H8O2 |
| Molecular Weight | 148.1586 |
| SMILES | CC1=C(C=O)C=CC=C1C=O |
| Synonyms | 2-Methylisophthalaldehyde,
51689-50-0,
626-19-7,
methylisophthalaldehyde,
1,3-Benzenedicarboxaldehyde, 2-methyl- (9CI),
SCHEMBL2451551,
CTK8I9742,
ZINC22116432,
AKOS022634318,
3-Phthalaldehyde,
1,3-Benzenedicarboxaldehyde,2-methyl-,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.161g/mol |
| Monoisotopic Mass | 148.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number