Cas no 82698-68-8 (Benzoic acid, 4-(3,6-dihydro-5-methyl-2H-1,2-oxazin-2-yl)-, methyl ester)
82698-68-8 structure
Product Name:Benzoic acid, 4-(3,6-dihydro-5-methyl-2H-1,2-oxazin-2-yl)-, methyl ester
CAS No:82698-68-8
MF:C13H15NO3
MW:233.263103723526
CID:5689554
Update Time:2023-10-12
Benzoic acid, 4-(3,6-dihydro-5-methyl-2H-1,2-oxazin-2-yl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(3,6-dihydro-5-methyl-2H-1,2-oxazin-2-yl)-, methyl ester
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- Inchi： 1S/C13H15NO3/c1-10-7-8-14(17-9-10)12-5-3-11(4-6-12)13(15)16-2/h3-7H,8-9H2,1-2H3
- InChI Key： IKIPIKSKDCDCOU-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C1=CC=C(N2CC=C(C)CO2)C=C1
Experimental Properties
- Density: 1.155±0.06 g/cm3(Predicted)
- Boiling Point: 341.8±52.0 °C(Predicted)
- pka: -0.39±0.40(Predicted)
Benzoic acid, 4-(3,6-dihydro-5-methyl-2H-1,2-oxazin-2-yl)-, methyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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