Cas no 59045-83-9 (Pentanedioic acid, 2-decyl-)
Pentanedioic acid, 2-decyl- structure
Product Name:Pentanedioic acid, 2-decyl-
CAS No:59045-83-9
MF:C15H28O4
MW:272.380425453186
CID:1611773
PubChem ID:10107305
Update Time:2025-04-21
Pentanedioic acid, 2-decyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2-decyl-
- 59045-83-9
- 2-decylpentanedioic Acid
- DTXSID101318845
- SCHEMBL1506898
-
- Inchi： 1S/C15H28O4/c1-2-3-4-5-6-7-8-9-10-13(15(18)19)11-12-14(16)17/h13H,2-12H2,1H3,(H,16,17)(H,18,19)
- InChI Key： RWQVGBKMBDMZDM-UHFFFAOYSA-N
- SMILES： OC(C(CCC(=O)O)CCCCCCCCCC)=O
Computed Properties
- Exact Mass: 272.19884
- Monoisotopic Mass: 272.19875937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 13
- Complexity: 251
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Pentanedioic acid, 2-decyl- Related Literature
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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