| CAS Number | 68850-07-7 |
| Catalog Number | AG00IBVJ(AGN-PC-0TTUOQ) |
| Chemical Name | 1,2-Benzenedimethanol, a,a'-dimethyl- |
| IUPAC Name | 1-[2-(1-hydroxyethyl)phenyl]ethanol |
| InChI | InChI=1S/C10H14O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-8,11-12H,1-2H3 |
| InChI Key | WNQZLDLHFMYGFB-UHFFFAOYSA-N |
| MDL Number | MFCD29043352 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | CC(c1ccccc1C(O)C)O |
| Synonyms | 1,2-Bis(1-hydroxyethyl)benzene,
1,1'-(1,2-Phenylene)diethanol,
68850-07-7,
SCHEMBL382010,
WNQZLDLHFMYGFB-UHFFFAOYSA-N,
1-[2-(1-Hydroxy-ethyl)-phenyl]-ethanol,
1-[2-(1-hydroxyethyl)phenyl]ethanol,
CID11275208,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number