Cas no 96100-27-5 (Icosa-5,8,14-trynoic acid)
Icosa-5,8,14-trynoic acid structure
Product Name:Icosa-5,8,14-trynoic acid
CAS No:96100-27-5
MF:C20H28O2
MW:300.435126304626
CID:809057
PubChem ID:146900
Update Time:2025-04-19
Icosa-5,8,14-trynoic acid Chemical and Physical Properties
Names and Identifiers
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- Icosa-5,8,14-trynoic acid
- eicosa-5,8,14-trynoic acid
- icosa-5,8,14-triynoic acid
- 96100-27-5
- SCHEMBL10456798
- DTXSID20242122
- 5,8,14-Eicosatriynoic acid
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- Inchi： 1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8-11,14,17-19H2,1H3,(H,21,22)
- InChI Key： NETLOINXABMQPN-UHFFFAOYSA-N
- SMILES： OC(CCCC#CCC#CCCCCC#CCCCCC)=O
Computed Properties
- Exact Mass: 300.208930132g/mol
- Monoisotopic Mass: 300.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 9
- Complexity: 489
- 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: 6
- Topological Polar Surface Area: 37.3?2
Icosa-5,8,14-trynoic acid Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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