| CAS Number | 154427-43-7 |
| Catalog Number | AG0037Q3(AGN-PC-00Q2Z3) |
| Chemical Name | Benzene, 1-methyl-3-(3-methylcyclohexyl)- |
| IUPAC Name | 1-methyl-3-(3-methylcyclohexyl)benzene |
| InChI | InChI=1S/C14H20/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3 |
| InChI Key | JPRNBFRPHPRPEV-UHFFFAOYSA-N |
| MDL Number | MFCD28122918 |
| Molecular Formula | C14H20 |
| Molecular Weight | 188.3086 |
| SMILES | CC1CC(CCC1)C=1C=C(C=CC1)C |
| Synonyms | 1-Methyl-3-(3-methylcyclohexyl)benzene,
154427-43-7,
1-Methyl-3-(3-methylcyclohex-1-yl)benzene,
3-(3-Methylcyclohexyl)toluene,
CTK0E7837,
DTXSID00579741,
MFCD28122918,
FCH2697411,
OR70207,
PS-11347,
Benzene, 1-methyl-3-(3-methylcyclohexyl)-,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.314g/mol |
| Monoisotopic Mass | 188.157g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number