Penta-2,4-dienoic acid
PubChem CID: 642034
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| Compound Synonyms | 626-99-3, 2,4-Pentadienoic acid, Penta-2,4-dienoic acid, 21651-12-7, (2E)-2,4-Pentadienoic acid, TRANS-2,4-PENTADIENOIC ACID, (E)-penta-2,4-dienoic acid, (2E)-penta-2,4-dienoic acid, 1,3-Butadiene-1-carboxylic acid, 2,4-Pentadienoic acid,(2E)-, (E)-2,4-Pentadienoic acid, beta-vinyl acrylic acid, EINECS 210-976-1, NSC 16628, AI3-28013, CHEBI:35964, but-1,3-diene-1-carboxylic acid, DTXSID401309803, C5:2n-1,3, trans-2,4-Pentadienoicacid, DTXSID80870728, pentadienoic acid, 1-Carboxybutadiene, (E)-1,3-Butadiene-1-carboxylic Acid, trans-1-Carboxybutadiene, trans-2,4-Pentadienoic Acid, , MFCD00014017, bet.-Vinylacrylic acid, Penta-2,4-dienoicacid, .beta.-Vinylacrylic acid, butadiene-1-carboxylic acid, CHEBI:37331, DTXCID40818424, DTXCID50910988, .alpha.,.gamma.-Pentadienoic acid, BCP21342, LMFA01030099, AKOS015919372, AS-0192, FP26798, BP-21439, 2,4-Pentadienoic acid, >=97.0% (T), DB-257531, CS-0199455, G77393, Q27117106, (E)-1,3-Butadiene-1-carboxylic acid, trans-1-Carboxybutadiene, trans-2,4-Pentadienoic acid, 210-976-1, 630-713-8 |
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| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-penta-2,4-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C5H6O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDVVLIIVFBKBMG-ONEGZZNKSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.181 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.168 |
| Compound Name | Penta-2,4-dienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 98.0368 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.0368 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 98.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.0092262 |
| Inchi | InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+ |
| Smiles | C=C/C=C/C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients