(4Z)-Lachnophyllum Lactone
PubChem CID: 5380634
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| Compound Synonyms | (Z)-Lachnophyllum lactone, 81122-95-4, (5Z)-5-hex-2-ynylidenefuran-2-one, (4Z)-LACHNOPHYLLUM LACTONE, NSC121218, (Z)-Lachnophyllumlactone, (5Z)-5-(2-Hexyn-1-ylidene)-2(5H)-furanone, MEGxp0_001829, CHEMBL2229361, ACon1_000578, 23251-67-4, HY-N0970, NSC101775, AKOS040762948, FS-9404, NSC-101775, NSC-121218, NCGC00168944-01, DA-48696, CS-0016108, (Z)-5-(Hex-2-yn-1-ylidene)furan-2(5H)-one |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-5-hex-2-ynylidenefuran-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H10O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PHUPYFCPQIPDNQ-TWGQIWQCSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.801 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.003 |
| Compound Name | (4Z)-Lachnophyllum Lactone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 162.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.3041656 |
| Inchi | InChI=1S/C10H10O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h6-8H,2-3H2,1H3/b9-6- |
| Smiles | CCCC#C/C=C\1/C=CC(=O)O1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Conyza Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all