Cas no 28299-29-8 (octadecenylsuccinic acid)
octadecenylsuccinic acid structure
Product Name:octadecenylsuccinic acid
CAS No:28299-29-8
MF:C22H40O4
MW:368.550607681274
CID:1434179
PubChem ID:5362718
Update Time:2025-04-20
octadecenylsuccinic acid Chemical and Physical Properties
Names and Identifiers
-
- octadecenylsuccinic acid
- 2-(Octadec-1-en-1-yl)succinic acid
- 248-947-0
- 2-(octadec-1-en-1-yl)butanedioic acid
- 2-[(9E)-octadec-9-en-1-yl]butanedioic acid
- SCHEMBL3280891
- SCHEMBL10349968
- 9-Octadecenylsuccinic acid
- 28299-29-8
- 2-[(9E)-9-Octadecenyl]succinic acid #
- EINECS 248-947-0
-
- Inchi： 1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)/b10-9+
- InChI Key： XACKAZKMZQZZDT-MDZDMXLPSA-N
- SMILES： OC(C(CC(=O)O)CCCCCCCC/C=C/CCCCCCCC)=O
Computed Properties
- Exact Mass: 368.2928
- Monoisotopic Mass: 368.29265975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 19
- Complexity: 376
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.9
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
octadecenylsuccinic acid Related Literature
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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