Cas no 1257397-49-1 (Methyl 2-(4-forMyl-3-hydroxyphenyl)-2-Methylpropanoate)
1257397-49-1 structure
Product Name:Methyl 2-(4-forMyl-3-hydroxyphenyl)-2-Methylpropanoate
CAS No:1257397-49-1
MF:C12H14O4
MW:222.237164020538
CID:829527
Update Time:2023-11-19
Methyl 2-(4-forMyl-3-hydroxyphenyl)-2-Methylpropanoate Chemical and Physical Properties
Names and Identifiers
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- methyl 2-(4-formyl-3-hydroxyphenyl)-2-methylpropanoate
- CID 88203907
- Reaxys ID: 20917003
- Benzeneacetic acid, 4-formyl-3-hydroxy-α,α-dimethyl-, methyl ester
- Methyl 2-(4-forMyl-3-hydroxyphenyl)-2-Methylpropanoate
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- Inchi： 1S/C12H14O4/c1-12(2,11(15)16-3)9-5-4-8(7-13)10(14)6-9/h4-7,14H,1-3H3
- InChI Key： ZFQRONKWJGAWEZ-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)(C)C1C=CC(C=O)=C(C=1)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 272
- Topological Polar Surface Area: 63.6
Methyl 2-(4-forMyl-3-hydroxyphenyl)-2-Methylpropanoate Related Literature
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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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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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