| CAS Number | 889104-80-7 |
| Catalog Number | AG01FFXR(AGN-PC-3H4AHI) |
| Chemical Name | 4-methyl-5-pentylbenzene-1,3-diol |
| IUPAC Name | 4-methyl-5-pentylbenzene-1,3-diol |
| InChI | InChI=1S/C12H18O2/c1-3-4-5-6-10-7-11(13)8-12(14)9(10)2/h7-8,13-14H,3-6H2,1-2H3 |
| InChI Key | CUXFFBBWEJOYAI-UHFFFAOYSA-N |
| MDL Number | MFCD24727278 |
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.2701 |
| SMILES | CC1=C(C=C(C=C1CCCCC)O)O |
| Synonyms | 4-methyl-5-pentylbenzene-1,3-diol,
MPBD cpd,
4-methyl-5-pentylbenzene-1,3-diol,
MPBD,
SCHEMBL3515735,
CHEMBL3769707,
CHEBI:61089,
889104-80-7,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.274g/mol |
| Monoisotopic Mass | 194.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number