Cas no 52951-38-9 (9-Octadecenoic acid(9Z)-, bismuth(3+) salt (3:1))
52951-38-9 structure
Product Name:9-Octadecenoic acid(9Z)-, bismuth(3+) salt (3:1)
CAS No:52951-38-9
MF:C54H99BiO6
MW:1053.34065556526
CID:376838
PubChem ID:6437038
Update Time:2025-04-19
9-Octadecenoic acid(9Z)-, bismuth(3+) salt (3:1) Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecenoic acid(9Z)-, bismuth(3+) salt (3:1)
- (E)-octadec-9-enoate
- (Z)-octadec-9-enoate
- 9-Octadecenoic acid (Z)-, bismuth(3+) salt
- bismuth
- Bismuth oleate
- Bismuth trioleate
- Oleo-Bi
- 4R9ZKF97DV
- Bismuth (3+) oleate
- UNII-4R9ZKF97DV
- 5128-95-0
- 52951-38-9
- 9-Octadecenoic acid (9Z)-, bismuth(3+) salt (3:1)
- EINECS 258-270-2
- BISMUTH OLEATE [MI]
- DTXSID20893552
- AKOS015995584
- Bismuth(3+) tri[(9Z)-9-octadecenoate]
- (9Z)-9-OCTADECENOIC ACID BISMUTH (3+) SALT
- bismuth;(Z)-octadec-9-enoate
- EINECS 225-869-5
-
- Inchi： 1S/3C18H34O2.Bi/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3/b3*10-9-;
- InChI Key： RHGQOMYDGHIKFH-GNOQXXQHSA-K
- SMILES： [Bi+3].[O-]C(CCCCCCC/C=C\CCCCCCCC)=O.[O-]C(CCCCCCC/C=C\CCCCCCCC)=O.[O-]C(CCCCCCC/C=C\CCCCCCCC)=O
Computed Properties
- Exact Mass: 1052.72457
- Monoisotopic Mass: 1052.72456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 61
- Rotatable Bond Count: 42
- Complexity: 228
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 120?2
Experimental Properties
- PSA: 120.39
9-Octadecenoic acid(9Z)-, bismuth(3+) salt (3:1) Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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