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Eicosenoic acid, (Z)-

PubChem CID: 46234793

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Compound Synonyms Eicosenoic acid, (Z)-, (Z)-icos-2-enoic acid, 93772-82-8, 28933-89-3, Delta2-cis Eicosenoic Acid, .DELTA.2-cis Eicosenoic Acid, cis-eicosenoic acid, 2(Z)-Eicosenoic acid, starbld0003613, delta 2-cis Eicosenoic Acid, SCHEMBL18096438, HMS3650I07, 109264-21-3, HY-N7860, CS-0138589, SR-01000946791, SR-01000946791-1
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 258.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (Z)-icos-2-enoic acid
Prediction Hob 0.0
Xlogp 9.2
Molecular Formula C20H38O2
Prediction Swissadme 0.0
Inchi Key FIKTURVKRGQNQD-HNENSFHCSA-N
Fcsp3 0.85
Logs -5.926
Rotatable Bond Count 17.0
Logd 3.699
Compound Name Eicosenoic acid, (Z)-
Prediction Hob Swissadme 0.0
Exact Mass 310.287
Formal Charge 0.0
Monoisotopic Mass 310.287
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 310.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -6.420336399999999
Inchi InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/b19-18-
Smiles CCCCCCCCCCCCCCCCC/C=C\C(=O)O
Nring 0.0
Defined Bond Stereocenter Count 1.0