| CAS Number | 7342-07-6 |
| Catalog Number | AG00FTUM(AGN-PC-0U335F) |
| Chemical Name | 1-p-Tolyl-prop-2-yn-1-ol |
| IUPAC Name | 1-(4-methylphenyl)prop-2-yn-1-ol |
| InChI | InChI=1S/C10H10O/c1-3-10(11)9-6-4-8(2)5-7-9/h1,4-7,10-11H,2H3 |
| InChI Key | QNRVVPCYHOFMFO-UHFFFAOYSA-N |
| MDL Number | MFCD09032688 |
| Molecular Formula | C10H10O |
| Molecular Weight | 146.1858 |
| SMILES | CC1=CC=C(C=C1)C(C#C)O |
| Synonyms | 1-(p-Tolyl)prop-2-yn-1-ol,
7342-07-6,
1-(p-Tolyl)-2-propyn-1-ol,
1-(4-methylphenyl)prop-2-yn-1-ol,
AGN-PC-05IX1O,
SCHEMBL7199129,
DTXSID40456481,
4-Methyl-alpha-ethynylbenzyl alcohol,
1-P-TOLYL-PROP-2-YN-1-OL,
AKOS006240007,
SY045244,
MFCD09032688 (95%),
F8883-8255,
CID11137305,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.189g/mol |
| Monoisotopic Mass | 146.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number