| CAS Number | 1087789-65-8 |
| Catalog Number | AG01AB4V |
| Chemical Name | 3-[2-(cyclohexylmethoxy)phenyl]prop-2-enoic acid |
| IUPAC Name | 3-[2-(cyclohexylmethoxy)phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C16H20O3/c17-16(18)11-10-14-8-4-5-9-15(14)19-12-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,17,18) |
| InChI Key | HUYCROUFQFGRMK-UHFFFAOYSA-N |
| MDL Number | MFCD12484915 |
| Molecular Formula | C16H20O3 |
| Molecular Weight | 260.3282 |
| SMILES | OC(C=CC1=C(OCC2CCCCC2)C=CC=C1)=O |
| Synonyms | 1087789-65-8,
3-[2-(cyclohexylmethoxy)phenyl]prop-2-enoic acid,
AKOS016905722,
MCULE-9680453351,
Z234897161,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.333g/mol |
| Monoisotopic Mass | 260.141g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number