| CAS Number | 91950-13-9 |
| Catalog Number | AG00H541(AGN-PC-0WNO9V) |
| Chemical Name | 3-(2-Methylpropoxy)phenol |
| IUPAC Name | 3-(2-methylpropoxy)phenol |
| InChI | InChI=1S/C10H14O2/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6,8,11H,7H2,1-2H3 |
| InChI Key | WTFGCLZKNHMTOD-UHFFFAOYSA-N |
| MDL Number | MFCD11181934 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | CC(C)COC1=CC(O)=CC=C1 |
| Synonyms | 3-(2-methylpropoxy)phenol,
3-Isobutoxyphenol,
91950-13-9,
SCHEMBL3164505,
WTFGCLZKNHMTOD-UHFFFAOYSA-N,
MFCD11181934,
ZINC32006377,
AKOS009315507,
FT-0749616,
A1-03428,
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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 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number