| CAS Number | 100760-03-0 |
| Catalog Number | AG01A7O9(AGN-PC-0OQ0HK) |
| Chemical Name | (1R)-1-(3,4-dimethylphenyl)ethan-1-ol |
| IUPAC Name | (1R)-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-/m1/s1 |
| InChI Key | WTTSQZZOTXFJJG-SECBINFHSA-N |
| MDL Number | MFCD09863671 |
| Molecular Formula | C10H14O |
| Molecular Weight | 150.2176 |
| SMILES | CC=1C=C(C=CC1C)[C@@H](C)O |
| Synonyms | (1R)-1-(3,4-dimethylphenyl)ethan-1-ol,
(R)-1-(3,4-Dimethylphenyl)ethanol,
100760-03-0,
AC1Q29BN,
CTK5J1711,
ZINC2009916,
AKOS010377531,
NE43252,
CJ-31097,
(1R)-1-(3,4-DIMETHYLPHENYL)ETHANOL,
EN300-59313,
J3.638.595B,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.221g/mol |
| Monoisotopic Mass | 150.104g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number