Cas no 90071-66-2 (4-Oxazolecarboxylic acid, 2-(2-oxononyl)-)
90071-66-2 structure
Product Name:4-Oxazolecarboxylic acid, 2-(2-oxononyl)-
CAS No:90071-66-2
MF:C13H19NO4
MW:253.29426407814
CID:794748
PubChem ID:71430438
Update Time:2025-04-19
4-Oxazolecarboxylic acid, 2-(2-oxononyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylic acid, 2-(2-oxononyl)-
- 2-(2-oxononyl)-1,3-oxazole-4-carboxylic acid
- 2-(2-Oxononyl)oxazole-4-carboxylic acid
- 90071-66-2
- DTXSID00849057
-
- Inchi： 1S/C13H19NO4/c1-2-3-4-5-6-7-10(15)8-12-14-11(9-18-12)13(16)17/h9H,2-8H2,1H3,(H,16,17)
- InChI Key： VESRJNYGYWUYBI-UHFFFAOYSA-N
- SMILES： O=C(CC1=NC(C(=O)O)=CO1)CCCCCCC
Computed Properties
- Exact Mass: 253.13140809g/mol
- Monoisotopic Mass: 253.13140809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 280
- 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: 2.8
- Topological Polar Surface Area: 80.4?2
4-Oxazolecarboxylic acid, 2-(2-oxononyl)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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