| CAS Number | 131864-73-8 |
| Catalog Number | AG019R8H(AGN-PC-0PJKR5) |
| Chemical Name | (2S)-1-(2-methoxyphenyl)propan-2-ol |
| IUPAC Name | (2S)-1-(2-methoxyphenyl)propan-2-ol |
| InChI | InChI=1S/C10H14O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8,11H,7H2,1-2H3/t8-/m0/s1 |
| InChI Key | ROVATSABYKBNCG-QMMMGPOBSA-N |
| MDL Number | MFCD14705960 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | COC1=C(C[C@@H](O)C)C=CC=C1 |
| Synonyms | (2S)-1-(2-methoxyphenyl)propan-2-ol,
131864-73-8,
AC1OCW2J,
AC1Q4ED7,
CTK7B0724,
ZINC407063,
AKOS026742231,
(S)-1-(2-Methoxyphenyl)-2-propanol,
NE32059,
EN300-89258,
ZINC00407063,
CID6951554,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number