Cas no 4475-04-1 (Propanedioic acid,2-octadecyl-)
4475-04-1 structure
Product Name:Propanedioic acid,2-octadecyl-
Propanedioic acid,2-octadecyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-octadecyl-
- octadecylmalonic acid
- 4475-04-1
- EINECS 224-750-5
- 2-Octadecylmalonic acid
- 1,1-Nonadecanedicarboxylic acid
- NSC 74101
- Malonic acid, octadecyl-
- NS00046517
- Propanedioic acid, 2-octadecyl-
- DTXSID1063489
- 1, 1-Nonadecanedicarboxylic acid
- Propanedioic acid, octadecyl-
- Stearylmalonic acid
- NSC74101
- NCIOpen2_008860
- NSC-74101
- octadecylmalonsaure
- 2-octadecylpropanedioic acid
- SCHEMBL142388
-
- Inchi： 1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(22)23)21(24)25/h19H,2-18H2,1H3,(H,22,23)(H,24,25)
- InChI Key： WMUFHDYXFASDAE-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)CCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 356.2928
- Monoisotopic Mass: 356.29265975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 19
- Complexity: 314
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.6
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
- LogP: 6.42340
Propanedioic acid,2-octadecyl- Related Literature
-
Hubert Kuhn,Heinz Rehage Phys. Chem. Chem. Phys. 2000 2 1023
-
Charles Dorée,C. K. Ingold,T. A. Henry Annu. Rep. Prog. Chem. 1925 22 67
-
4. 1129. Electron impact and molecular dissociation. Part IX. The mass spectra of some malonic acids and furan compoundsR. I. Reed,W. K. Reid J. Chem. Soc. 1963 5933
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