| CAS Number | 20416-19-7 |
| Catalog Number | AG01ACBZ(AGN-PC-03D5DK) |
| Chemical Name | 5-methyl-3-Furanmethanol |
| IUPAC Name | (5-methylfuran-3-yl)methanol |
| InChI | InChI=1S/C6H8O2/c1-5-2-6(3-7)4-8-5/h2,4,7H,3H2,1H3 |
| InChI Key | IVMUOQVJXSCZKF-UHFFFAOYSA-N |
| MDL Number | MFCD15145819 |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.1265 |
| SMILES | Cc1cc(co1)CO |
| Synonyms | (5-Methylfuran-3-yl)methanol,
20416-19-7,
5-Methylfuran-3-methanol,
3-Furanmethanol,5-methyl-,
3-Furanmethanol, 5-methyl-,
SCHEMBL2735671,
ZINC89228492,
AKOS024437830,
Y6575,
2-methyl-4-hydroxymethyl furan,
C6H8O2,
|
| Complexity | 72.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.128g/mol |
| Monoisotopic Mass | 112.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number