| CAS Number | 74733-23-6 |
| Catalog Number | AG00FHO1(AGN-PC-0WOJ5O) |
| Chemical Name | Methyl 4-formyl-2-methylbenzoate |
| IUPAC Name | methyl 4-formyl-2-methylbenzoate |
| InChI | InChI=1S/C10H10O3/c1-7-5-8(6-11)3-4-9(7)10(12)13-2/h3-6H,1-2H3 |
| InChI Key | LHJKZERUIPGPCK-UHFFFAOYSA-N |
| MDL Number | MFCD22380496 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | O=C(OC)C1=CC=C(C=O)C=C1C |
| Synonyms | methyl 4-formyl-2-methylbenzoate,
74733-23-6,
methyl-p-epoxymethylbenzoate,
SCHEMBL497789,
LHJKZERUIPGPCK-UHFFFAOYSA-N,
MFCD22380496,
ZINC59143714,
AS-40991,
4-Formyl-2-methyl-benzoic Acid Methyl Ester,
4-formyl-2-methyl-benzoic acid, methyl ester,
Benzoic acid, 4-formyl-2-methyl-, methyl ester,
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| Complexity | 200 |
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number