| CAS Number | 108318-78-1 |
| Catalog Number | AG007D2J(AGN-PC-0LMF8F) |
| Chemical Name | 1-Tert-butyl-4-propoxybenzene |
| IUPAC Name | 1-tert-butyl-4-propoxybenzene |
| InChI | InChI=1S/C13H20O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h6-9H,5,10H2,1-4H3 |
| InChI Key | SESHYPWSAOBSOY-UHFFFAOYSA-N |
| MDL Number | MFCD06277649 |
| Molecular Formula | C13H20O |
| Molecular Weight | 192.2973 |
| SMILES | CCCOC1=CC=C(C=C1)C(C)(C)C |
| Synonyms | 1-tert-butyl-4-propoxybenzene,
108318-78-1,
Benzene, 1-(1,1-dimethylethyl)-4-propoxy-,
1-(tert-Butyl)-4-propoxybenzene,
ACMC-20mbgr,
AC1NOGPX,
SCHEMBL271059,
1-Propoxy-4-tert-butylbenzene,
4-tert-butyl-1-n-propoxybenzene,
CTK0G2749,
DTXSID80408202,
SESHYPWSAOBSOY-UHFFFAOYSA-N,
AB3508,
MFCD06277649,
ZINC26892037,
AKOS002710142,
AS-44715,
1-propoxy-4-tert-butyl-benzene,
CID5088003,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.302g/mol |
| Monoisotopic Mass | 192.151g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number