| CAS Number | 20771-96-4 |
| Catalog Number | AG01AN2G |
| Chemical Name | 2-Formyl-6-methylbenzoic acid |
| IUPAC Name | 2-formyl-6-methylbenzoic acid |
| InChI | InChI=1S/C9H8O3/c1-6-3-2-4-7(5-10)8(6)9(11)12/h2-5H,1H3,(H,11,12) |
| InChI Key | QCEQRNBCDJKUMU-UHFFFAOYSA-N |
| MDL Number | MFCD18451289 |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.1580 |
| SMILES | CC1=C(C(O)=O)C(C=O)=CC=C1 |
| Synonyms | 2-formyl-6-methylbenzoic acid,
20771-96-4,
2-carboxy-3-methylbenzaldehyde,
SCHEMBL2320182,
QCEQRNBCDJKUMU-UHFFFAOYSA-N,
2 -carboxy -3- methylbenzaldehyde,
AKOS006373701,
ZINC104684686,
2-Formyl-6-methylbenzoic acid, 9CI; Lactol-form, Me ether,
63112-99-2,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.16g/mol |
| Monoisotopic Mass | 164.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number