| CAS Number | 42070-91-7 |
| Catalog Number | AG00CL5H(AGN-PC-0WG42Z) |
| Chemical Name | (R)-1-(3-Methylphenyl)ethanol |
| IUPAC Name | (1R)-1-(3-methylphenyl)ethanol |
| InChI | InChI=1S/C9H12O/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8,10H,1-2H3/t8-/m1/s1 |
| InChI Key | SPNHUMWMKXWVIU-MRVPVSSYSA-N |
| MDL Number | MFCD18339591 |
| Molecular Formula | C9H12O |
| Molecular Weight | 136.1910 |
| SMILES | C[C@@H](O)C1=CC=CC(C)=C1 |
| Synonyms | (R)-1-(m-Tolyl)ethanol,
(1R)-1-(3-methylphenyl)ethan-1-ol,
42070-91-7,
(R)-1-(3-Methylphenyl)ethanol,
SCHEMBL343187,
(R)-1-(3-tolyphenyl)ethanol,
ZINC2508058,
MFCD18339591,
AKOS017357733,
MCULE-1090825379,
NE16285,
RP20286,
Z1415893941,
ZINC02508058,
CID7015155,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.194g/mol |
| Monoisotopic Mass | 136.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number