| CAS Number | 88122-12-7 |
| Catalog Number | AG004IGU(AGN-PC-005JUQ) |
| Chemical Name | Benzaldehyde, 3,4-dihydroxy-2-methyl- |
| IUPAC Name | 3,4-dihydroxy-2-methylbenzaldehyde |
| InChI | InChI=1S/C8H8O3/c1-5-6(4-9)2-3-7(10)8(5)11/h2-4,10-11H,1H3 |
| InChI Key | OSYMDNUEVGSSKZ-UHFFFAOYSA-N |
| MDL Number | MFCD22070217 |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.1473 |
| SMILES | O=CC1=CC=C(O)C(O)=C1C |
| Synonyms | 3,4-dihydroxy-2-methylbenzaldehyde,
88122-12-7,
Benzaldehyde, 3,4-dihydroxy-2-methyl-,
Methylprotocatechualdehyd,
SCHEMBL670303,
CTK3B7601,
DTXSID40460427,
2-Methyl-3,4-dihydroxybenzaldehyde,
3,4-dihydroxy-2-methyl-benzaldehyde,
CID11263595,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.149g/mol |
| Monoisotopic Mass | 152.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number