| CAS Number | 634592-46-4 |
| Catalog Number | AG00EC54(AGN-PC-0WB46H) |
| Chemical Name | 1-(1-Methylcyclohexyl)-3-phenylpropan-1-one |
| IUPAC Name | 1-(1-methylcyclohexyl)-3-phenylpropan-1-one |
| InChI | InChI=1S/C16H22O/c1-16(12-6-3-7-13-16)15(17)11-10-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3 |
| InChI Key | FPYDUHXKDNEALK-UHFFFAOYSA-N |
| MDL Number | MFCD00560208 |
| Molecular Formula | C16H22O |
| Molecular Weight | 230.3453 |
| SMILES | C(CCC1C=CC=CC=1)(=O)C1(CCCCC1)C |
| Synonyms | 1-(1-methylcyclohexyl)-3-phenylpropan-1-one,
634592-46-4,
CHEMBRDG-BB 5214119,
AC1MYYYO,
CTK5B9321,
DTXSID60397564,
ZINC2566635,
ZX-CM015302,
MFCD00560208,
AKOS003604835,
AJ-41309,
BC4526278,
1-(1-Methylcyclohexyl)-3-phenyl-1-propanone,
W-7308,
CID3864448,
1-(1-methylcyclohexyl)-3-phenyl-propan-1-one,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.351g/mol |
| Monoisotopic Mass | 230.167g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number