Cas no 628332-89-8 (Propanoic acid, 2-(3-hydroxyphenoxy)-2-methyl-, methyl ester)
628332-89-8 structure
Product Name:Propanoic acid, 2-(3-hydroxyphenoxy)-2-methyl-, methyl ester
CAS No:628332-89-8
MF:C11H14O4
MW:210.226463794708
CID:1647492
PubChem ID:57978463
Update Time:2025-04-21
Propanoic acid, 2-(3-hydroxyphenoxy)-2-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(3-hydroxyphenoxy)-2-methyl-, methyl ester
- methyl 2-(3-hydroxyphenoxy)-2-methylpropanoate
- methyl 2-(3-hydroxyphenoxy)-2-methylpropionate
- 628332-89-8
- UDHYFXASUCFXSK-UHFFFAOYSA-N
- SCHEMBL4607275
- DTXSID60728536
- DA-04248
-
- Inchi： 1S/C11H14O4/c1-11(2,10(13)14-3)15-9-6-4-5-8(12)7-9/h4-7,12H,1-3H3
- InChI Key： UDHYFXASUCFXSK-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C=1)O)C(C(=O)OC)(C)C
Computed Properties
- Exact Mass: 210.08922
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 225
- 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
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Propanoic acid, 2-(3-hydroxyphenoxy)-2-methyl-, methyl ester Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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