| CAS Number | 29922-45-0 |
| Catalog Number | AG01EMFS(AGN-PC-0NFSUT) |
| Chemical Name | 2-(hydroxymethyl)-4-propylphenol |
| IUPAC Name | 2-(hydroxymethyl)-4-propylphenol |
| InChI | InChI=1S/C10H14O2/c1-2-3-8-4-5-10(12)9(6-8)7-11/h4-6,11-12H,2-3,7H2,1H3 |
| InChI Key | VGUAJVXWMYIKLU-UHFFFAOYSA-N |
| MDL Number | MFCD24717974 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.217 |
| SMILES | CCCC1=CC(CO)=C(O)C=C1 |
| Synonyms | 29922-45-0,
2-(hydroxymethyl)-4-propylphenol,
5-Propyl-2-oxy-benzylalkohol,
SCHEMBL13966467,
Benzenemethanol, 2-hydroxy-5-propyl-,
2-(hydroxymethyl)-4-propyl-phenol,
CID11094997,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number