Cas no 84297-23-4 (Heptadecylpropanedioic acid)
Heptadecylpropanedioic acid structure
Product Name:Heptadecylpropanedioic acid
CAS No:84297-23-4
MF:C20H38O4
MW:342.513327121735
CID:2804964
PubChem ID:14324903
Update Time:2025-04-21
Heptadecylpropanedioic acid Chemical and Physical Properties
Names and Identifiers
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- 84297-23-4
- Heptadecylpropanedioic acid
- DTXSID00558950
- SCHEMBL139262
- octadecandicarbonsaure
-
- Inchi: 1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(21)22)20(23)24/h18H,2-17H2,1H3,(H,21,22)(H,23,24)
- InChI Key: BTBJCTWMARHHQD-UHFFFAOYSA-N
- SMILES: OC(C(C(=O)O)CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 342.27700969Da
- Monoisotopic Mass: 342.27700969Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 18
- Complexity: 301
- 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
- Topological Polar Surface Area: 74.6?2
Heptadecylpropanedioic acid Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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