| CAS Number | 82657-68-9 |
| Catalog Number | AG008JYF(AGN-PC-0NHOZH) |
| Chemical Name | Benzenemethanol, 2-(1-methylethoxy)- |
| IUPAC Name | (2-propan-2-yloxyphenyl)methanol |
| InChI | InChI=1S/C10H14O2/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-6,8,11H,7H2,1-2H3 |
| InChI Key | QPEGLRPZJGPWQR-UHFFFAOYSA-N |
| MDL Number | MFCD08753017 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | C1(=CC=CC=C1CO)OC(C)C |
| Synonyms | (2-Isopropoxyphenyl)methanol,
82657-68-9,
Benzenemethanol, 2-(1-methylethoxy)-,
SCHEMBL2097561,
(2-Isopropoxy-phenyl)-methanol,
CTK3D8106,
DTXSID70476975,
QPEGLRPZJGPWQR-UHFFFAOYSA-N,
CHEMBRDG-BB 9070892,
ZINC9280645,
[2-(propan-2-yloxy)phenyl]methanol,
MFCD08753017,
AKOS000247745,
AJ-59492,
Y-4722,
2-iso-Propoxybenzyl alcohol,
CHEMBRDG-BB9070892,
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| Complexity | 123 |
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number