3-Octenoic acid
PubChem CID: 5282716
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| Compound Synonyms | 3-OCTENOIC ACID, (E)-Oct-3-enoic acid, 1577-19-1, 5163-67-7, trans-3-octenoic acid, 3-Octenoic acid, (3E)-, 3E-octenoic acid, (E)-3-Octenoic acid, trans-beta-octenoic acid, (3E)-3-octenoic acid, EINECS 216-418-3, 3F5ID1X5WH, 52M4D39OOY, C8:1n-5, oct-3-enoicacid, UNII-3F5ID1X5WH, DTXSID0061799, UNII-52M4D39OOY, EINECS 225-941-6, (3E)-oct-3-enoic acid, DELTA3-OCTENOIC ACID, 3-Octenoic acid, AldrichCPR, SCHEMBL586011, SCHEMBL1224227, .DELTA.3-OCTENOIC ACID, 3-OCTENOIC ACID [FHFI], DTXCID7035068, FEMA NO. 4362, 3-OCTENOIC ACID, (E)-, CHEBI:180313, DTXSID801315228, 2-HEPTENE-1-CARBOXYLIC ACID, FEMA NO. 4362, E-, LMFA01030020, MFCD00016562, AKOS015839559, FO70147, HY-W106629, DB-310215, CS-0160238, NS00021706, NS00081518, O0070, 2-Heptene-1-carboxylic acid, ?3-Octenoic acid, Q27257146 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-oct-3-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C8H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IWPOSDLLFZKGOW-AATRIKPKSA-N |
| Fcsp3 | 0.625 |
| Logs | -4.958 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.532 |
| Compound Name | 3-Octenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8280275999999995 |
| Inchi | InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)/b6-5+ |
| Smiles | CCCC/C=C/CC(=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all