| CAS Number | 64506-21-4 |
| Catalog Number | AG00IBDM(AGN-PC-0TCT6B) |
| Chemical Name | 3-(4-Methoxyphenyl)-2-methylpropan-1-ol |
| EC Number | 613-614-4 |
| IUPAC Name | 3-(4-methoxyphenyl)-2-methylpropan-1-ol |
| InChI | InChI=1S/C11H16O2/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3 |
| InChI Key | ZCPSKKFTJPQADI-UHFFFAOYSA-N |
| MDL Number | MFCD20385977 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | COC1=CC=C(CC(CO)C)C=C1 |
| Synonyms | 3-(4-methoxyphenyl)-2-methylpropan-1-ol,
64506-21-4,
SCHEMBL7976221,
2-(4-Methoxybenzyl)-1-propanol,
AKOS013993000,
3-(4-Methoxy-phenyl)-2-methyl-propan-1-ol,
A1-08713,
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| Complexity | 128 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number