| CAS Number | 77026-92-7 |
| Catalog Number | AG003BDU(AGN-PC-0UAXQY) |
| Chemical Name | trans-Jasmonic acid |
| IUPAC Name | 2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid |
| InChI | InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15) |
| InChI Key | ZNJFBWYDHIGLCU-UHFFFAOYSA-N |
| MDL Number | MFCD04221274 |
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.2695 |
| SMILES | O=C1[C@H]([C@@H](CC1)CC(=O)O)C\C=C/CC |
| Synonyms | 3-(Carboxymethyl)-2-(2-pentenyl)cyclopentanone,
77026-92-7,
trans-Jasmonic Acid,
3572-66-5,
3-(Corboxymethyl)-2-(2-Pentenyl)cyclopentanone,
AC1LBGX5,
2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid,
2-((1R,2R)-2-((Z)-But-2-en-1-yl)-4-oxocyclopentyl)acetic acid,
CTK1C2088,
ANW-42018,
DB-048864,
FT-0634910,
3-oxo-2-(2-pentenyl) cyclopentaneacetic acid,
Cyclopentaneaceticacid, 3-oxo-2-(2-penten-1-yl)-,
(Z)-2-(3-oxo-2-(pent-1-enyl)cyclopentyl)acetic acid,
(Z)-2-(3-oxo-2-(pent-2-enyl)cyclopentyl)acetic acid,
Jasmonic acid,
CID557758,
6894-38-8,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.273g/mol |
| Monoisotopic Mass | 210.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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