| CAS Number | 3955-29-1 |
| Catalog Number | AG00D02P(AGN-PC-0JPKRW) |
| Chemical Name | 4-Methylpyrogallol |
| IUPAC Name | 4-methylbenzene-1,2,3-triol |
| InChI | InChI=1S/C7H8O3/c1-4-2-3-5(8)7(10)6(4)9/h2-3,8-10H,1H3 |
| InChI Key | PHZREHARUPHHCU-UHFFFAOYSA-N |
| MDL Number | MFCD24713498 |
| Molecular Formula | C7H8O3 |
| Molecular Weight | 140.1366 |
| SMILES | CC1=C(C(=C(C=C1)O)O)O |
| Synonyms | Benzenetriol, methyl-,
4-methylbenzene-1,2,3-triol,
4-methylpyrogallol,
3955-29-1,
73684-67-0,
p-Kresoldialkohol,
AC1L4FEO,
SCHEMBL106989,
DTXSID40223953,
CID156015,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.138g/mol |
| Monoisotopic Mass | 140.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number