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9Z,12E-octadecadienoic acid

PubChem CID: 5282797

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Compound Synonyms 9Z,12E-octadecadienoic acid, (9Z,12E)-octadeca-9,12-dienoic acid, 2420-55-5, cis-9, trans-12-octadecadienoic acid, 9,12-Octadecadienoicacid, (9Z,12E)-, 2420-42-0, C18:2n-6,9, Linoleic acid, (9E,12Z)-, 18:2Delta9cis,12trans, trans-Delta12 linoleic acid, O1EFF5CCC2, (9Z,12E)-Linoleic acid, UNII-O1EFF5CCC2, Linoleic acid, (9Z,12E)-, MS2S8S025F, (9Z,12E)-octadecadienoic acid, 9,12-Octadecadienoic acid, (Z,E)-, cis,trans-linoleic acid, starbld0004494, CHEBI:86141, DTXSID70920488, OYHQOLUKZRVURQ-KQHSAVHASA-N, (E,Z)-9,12-Octadecadienoic Acid, LMFA01030121, cis,trans-octadeca-9,12-dienoic acid, 9-CIS-12-TRANS-LINOLEIC ACID, LINOLEIC ACID, CIS-9,TRANS-12-, CIS-9-TRANS-12-OCTADECADIENOIC ACID, TRANS-12-CIS-9-OCTADECADIENOIC ACID, (9Z,12E)-9,12-OCTADECADIENOIC ACID, 9,12-OCTADECADIENOIC ACID, (9Z,12E)-, EN300-22411586, Q27158927
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 267.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (9Z,12E)-octadeca-9,12-dienoic acid
Prediction Hob 1.0
Xlogp 6.8
Molecular Formula C18H32O2
Prediction Swissadme 0.0
Inchi Key OYHQOLUKZRVURQ-KQHSAVHASA-N
Fcsp3 0.7222222222222222
Logs -3.437
Rotatable Bond Count 14.0
Logd 3.786
Compound Name 9Z,12E-octadecadienoic acid
Prediction Hob Swissadme 0.0
Exact Mass 280.24
Formal Charge 0.0
Monoisotopic Mass 280.24
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 280.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -5.052202399999999
Inchi InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9-
Smiles CCCCC/C=C/C/C=C\CCCCCCCC(=O)O
Nring 0.0
Defined Bond Stereocenter Count 2.0