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9-hexadecenoic acid, methyl ester, (9Z)-

PubChem CID: 14258

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Compound Synonyms 3913-63-1, 9-hexadecenoic acid, methyl ester, (9Z)-, methyl 9-hexadecenoate, methyl (9E)-hexadec-9-enoate, DTXSID201347762, AKOS025243510
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 221.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name methyl hexadec-9-enoate
Prediction Hob 1.0
Xlogp 6.5
Molecular Formula C17H32O2
Prediction Swissadme 0.0
Inchi Key IZFGRAGOVZCUFB-UHFFFAOYSA-N
Fcsp3 0.8235294117647058
Logs -6.339
Rotatable Bond Count 14.0
Logd 4.416
Compound Name 9-hexadecenoic acid, methyl ester, (9Z)-
Prediction Hob Swissadme 0.0
Exact Mass 268.24
Formal Charge 0.0
Monoisotopic Mass 268.24
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 268.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -4.593434199999998
Inchi InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3
Smiles CCCCCCC=CCCCCCCCC(=O)OC
Nring 0.0
Defined Bond Stereocenter Count 0.0