| CAS Number | 168132-18-1 |
| Catalog Number | AG019F20(AGN-PC-0NE63L) |
| Chemical Name | 3-(3-Methoxy-4-methylphenyl)propan-1-ol |
| IUPAC Name | 3-(3-methoxy-4-methylphenyl)propan-1-ol |
| InChI | InChI=1S/C11H16O2/c1-9-5-6-10(4-3-7-12)8-11(9)13-2/h5-6,8,12H,3-4,7H2,1-2H3 |
| InChI Key | XHUFCXIYFOCUDO-UHFFFAOYSA-N |
| MDL Number | MFCD09999377 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | COC1=C(C)C=CC(CCCO)=C1 |
| Synonyms | 3-(3-methoxy-4-methylphenyl)propan-1-ol,
168132-18-1,
SCHEMBL6173908,
XHUFCXIYFOCUDO-UHFFFAOYSA-N,
ZINC34596725,
3-Methoxy-4-methylbenzene-1-propanol,
SC-42246,
3-(3-methoxy-4-methylphenyl)-1-propanol,
CS-0061190,
Dihydroconiferyl alcohol,
CID10997638,
3-(3-methoxy-4-methyl-phenyl)propan-1-ol,
H1011,
3-(4-HYDROXY-3-METHOXYPHENYL)-1-PROPANOL,
2305-13-7,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.247g/mol |
| Monoisotopic Mass | 180.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number