| CAS Number | 16737-71-6 |
| Catalog Number | AG001XC8(AGN-PC-0NF9IB) |
| Chemical Name | 2-(2,6-Dimethylphenoxy)ethan-1-ol |
| IUPAC Name | 2-(2,6-dimethylphenoxy)ethanol |
| InChI | InChI=1S/C10H14O2/c1-8-4-3-5-9(2)10(8)12-7-6-11/h3-5,11H,6-7H2,1-2H3 |
| InChI Key | DYTSLGCVWCVGLQ-UHFFFAOYSA-N |
| MDL Number | MFCD11613988 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | CC1=C(OCCO)C(C)=CC=C1 |
| Synonyms | 2-(2,6-dimethylphenoxy)ethanol,
16737-71-6,
2-(2,6-dimethylphenoxy)ethan-1-ol,
Ethanol, 2-(2,6-dimethylphenoxy)-,
AC1Q2NG8,
SCHEMBL515980,
CTK0A8700,
DTXSID90453768,
ZINC19786113,
AKOS008131954,
MCULE-4230260294,
NE34372,
EN300-60868,
CID11062762,
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| Complexity | 115 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number