Cas no 27236-73-3 (pentadecenyl-Butanedioic acid)
pentadecenyl-Butanedioic acid structure
Product Name:pentadecenyl-Butanedioic acid
CAS No:27236-73-3
MF:C19H34O4
MW:326.470866680145
CID:250907
PubChem ID:53432327
Update Time:2025-04-19
pentadecenyl-Butanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- pentadecenyl-Butanedioic acid
- 2-pentadec-1-enylbutanedioic acid
- 2-(PENTADEC-1-EN-1-YL)BUTANEDIOIC ACID
- 27236-73-3
- DTXSID30700541
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- Inchi： 1S/C19H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16-18(20)21/h14-15,17H,2-13,16H2,1H3,(H,20,21)(H,22,23)
- InChI Key： DXPLEDYRQHTBDJ-UHFFFAOYSA-N
- SMILES： OC(C(CC(=O)O)C=CCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 326.24582
- Monoisotopic Mass: 326.246
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 16
- Complexity: 336
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 74.6A^2
- XLogP3: 6.7
Experimental Properties
- PSA: 74.6
pentadecenyl-Butanedioic acid Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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