Hex-4-enoic acid
PubChem CID: 638127
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| Compound Synonyms | 4-Hexenoic acid, Hex-4-enoic acid, 1577-20-4, 35194-36-6, (E)-hex-4-enoic acid, 4-hexenoic acid, (4E)-, (E)-4-Hexenoic acid, gamma-hexenoic acid, (4E)-4-Hexenoic acid, (4E)-hex-4-enoic acid, trans-4-hexenoic acid, trans-hex-4-enoic acid, 4-Hexenoic acid, trans, EINECS 252-427-9, TK2A7VWZ5R, CHEBI:38355, C6:1n-2, NSC 409219, (E)?-?4-?Hexenoic Acid, DTXSID201316878, NSC-409219, NoName_56, (E)-hex-4-enoicacid, UNII-TK2A7VWZ5R, (4E)-4-Hexenoic acid #, 4-Hexenoic acid, AldrichCPR, .GAMMA.-HEXENOIC ACID, SCHEMBL241574, CHEBI:38356, DTXSID00901008, DTXCID501333132, LMFA01030010, AKOS006222121, CS-0232064, CS-0356614, EN300-126208, Q27117519, InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)/b3-2, 252-427-9 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hex-4-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C6H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NIDHFQDUBOVBKZ-NSCUHMNNSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.606 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.854 |
| Compound Name | Hex-4-enoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 114.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.0174927999999999 |
| Inchi | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)/b3-2+ |
| Smiles | C/C=C/CCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Source_db:cmaup_ingredients