| CAS Number | 4317-62-8 |
| Catalog Number | AG003CXJ(AGN-PC-0NIUMK) |
| Chemical Name | 1-(m-Tolyloxy)propan-2-ol |
| IUPAC Name | 1-(3-methylphenoxy)propan-2-ol |
| InChI | InChI=1S/C10H14O2/c1-8-4-3-5-10(6-8)12-7-9(2)11/h3-6,9,11H,7H2,1-2H3 |
| InChI Key | DKTVQFUMIUPSGI-UHFFFAOYSA-N |
| MDL Number | MFCD00191543 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | CC(O)COC1=CC=CC(C)=C1 |
| Synonyms | 1-(3-Methylphenoxy)-2-propanol,
4317-62-8,
1-(m-Tolyloxy)propan-2-ol,
1-(m-Tolyloxy)-2-propanol,
1-(3-methylphenoxy)propan-2-ol,
ACMC-1AMB1,
3-(m-tolyloxy)-2-propanol,
SCHEMBL1496566,
CTK4I7135,
DTXSID30495687,
2-Propanol,1-(3-methylphenoxy)-,
ANW-29945,
MFCD00191543,
AKOS009158176,
KS-000013F6,
TC-118690,
M1064,
1-(3-Methylphenoxy)-2-propanol, AldrichCPR,
I14-57877,
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| Complexity | 125 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number