| CAS Number | 100760-07-4 |
| Catalog Number | AG019X6V(AGN-PC-0OQ0JL) |
| Chemical Name | (1S)-1-(3,4-dimethylphenyl)ethan-1-ol |
| IUPAC Name | (1S)-1-(3,4-dimethylphenyl)ethanol |
| InChI | InChI=1S/C10H14O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6,9,11H,1-3H3/t9-/m0/s1 |
| InChI Key | WTTSQZZOTXFJJG-VIFPVBQESA-N |
| MDL Number | MFCD09863672 |
| Molecular Formula | C10H14O |
| Molecular Weight | 150.2176 |
| SMILES | CC=1C=C(C=CC1C)[C@H](C)O |
| Synonyms | (1S)-1-(3,4-dimethylphenyl)ethan-1-ol,
(S)-1-(3,4-Dimethylphenyl)ethanol,
100760-07-4,
CTK5J1378,
ZINC2009917,
AKOS034825915,
NE20022,
(1S)-1-(3,4-DIMETHYLPHENYL)ETHANOL,
EN300-54212,
J3.638.596K,
AC1Q29MN,
CJ-31098,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.104465g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.22g/mol |
| Monoisotopic Mass | 150.104465g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number