| CAS Number | 33426-65-2 |
| Catalog Number | AG00CLV6(AGN-PC-0NJ1DH) |
| Chemical Name | 3-Propoxytoluene |
| IUPAC Name | 1-methyl-3-propoxybenzene |
| InChI | InChI=1S/C10H14O/c1-3-7-11-10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3 |
| InChI Key | RMVOEKSHKZRBIM-UHFFFAOYSA-N |
| MDL Number | MFCD05982065 |
| Molecular Formula | C10H14O |
| Molecular Weight | 150.2176 |
| SMILES | C1(C)C=CC=C(OCCC)C=1 |
| Synonyms | 1-methyl-3-propoxybenzene,
3-Propoxytoluene,
33426-65-2,
3-Methylphenylpropyl ether,
1-methyl-3-propoxy-benzene,
3-methylphenyl n-propyl ether,
SCHEMBL129750,
Benzene, 1-methyl-3-propoxy-,
CTK1B1753,
DTXSID60499092,
RMVOEKSHKZRBIM-UHFFFAOYSA-N,
ZINC15781269,
AKOS008947781,
V5255,
C10H14O,
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| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.221g/mol |
| Monoisotopic Mass | 150.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number