| CAS Number | 168169-98-0 |
| Catalog Number | AG019EZC(AGN-PC-0WG3OH) |
| Chemical Name | (2E)-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-methylprop-2-enoic acid |
| IUPAC Name | (E)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylprop-2-enoic acid |
| InChI | InChI=1S/C16H20O4/c1-11(16(17)18)9-12-7-8-14(19-2)15(10-12)20-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,17,18)/b11-9+ |
| InChI Key | TWMCIJDQYXIRRL-PKNBQFBNSA-N |
| MDL Number | MFCD06207258 |
| Molecular Formula | C16H20O4 |
| Molecular Weight | 276.3276 |
| SMILES | COc1ccc(C=C(/C)C(O)=O)cc1OC1CCCC1 |
| Synonyms | 168169-98-0,
(E)-3-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL)-2-METHYLACRYLIC ACID,
SCHEMBL5351545,
SCHEMBL5351550,
TWMCIJDQYXIRRL-PKNBQFBNSA-N,
ZINC34399861,
AS-71620,
CS-0037126,
(E)-3-(3-Cyclopentoxy-4-methoxyphenyl)-2-methyl-acrylic acid,
(E)-3-(3-Cyclopentoxy-4-methoxy-phenyl)-2-methyl-acrylic acid,
(E)-3-(3-cyclopentoxy-4-methoxyphenyl)-2-methyl-prop-2-enoic acid,
(2E)-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-methylprop-2-enoic acid,
CID10707604,
(E)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-2-methyl-prop-2-enoic Acid,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 276.136159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.33g/mol |
| Monoisotopic Mass | 276.136159g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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