| CAS Number | 27587-17-3 |
| Catalog Number | AG00CEFB(AGN-PC-0JTERK) |
| Chemical Name | 2-methylbenzene-1,4-dicarbaldehyde |
| IUPAC Name | 2-methylterephthalaldehyde |
| InChI | InChI=1S/C9H8O2/c1-7-4-8(5-10)2-3-9(7)6-11/h2-6H,1H3 |
| InChI Key | MNHWRUCVFATHDL-UHFFFAOYSA-N |
| MDL Number | MFCD22374547 |
| Molecular Formula | C9H8O2 |
| Molecular Weight | 148.1586 |
| SMILES | CC1=C(C=O)C=CC(=C1)C=O |
| Synonyms | 2-Methylterephthalaldehyde,
27587-17-3,
MNHWRUCVFATHDL-UHFFFAOYSA-N,
Terephthalaldehyde, methyl-,
1,4-Benzenedicarboxaldehyde,2-methyl-,
AC1LBXAF,
1,4-Benzenedicarboxaldehyde, 2-methyl-,
methyl terephthalaldehyde,
2-Methyl-p-phthalaldehyde,
2-Methyl-terephthalaldehyd,
SCHEMBL823127,
2-Methyl-1,4-benzenedicarbaldehyde,
CID590599,
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| Complexity | 154 |
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number