Cas no 62402-52-2 (Propanoic acid, 2-[4-(hydroxyphenylmethyl)phenoxy]-2-methyl-)
62402-52-2 structure
Product Name:Propanoic acid, 2-[4-(hydroxyphenylmethyl)phenoxy]-2-methyl-
CAS No:62402-52-2
MF:C17H18O4
MW:286.322425365448
CID:446031
PubChem ID:12346118
Update Time:2025-04-19
Propanoic acid, 2-[4-(hydroxyphenylmethyl)phenoxy]-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-[4-(hydroxyphenylmethyl)phenoxy]-2-methyl-
- 2-[4-[hydroxy(phenyl)methyl]phenoxy]-2-methylpropanoic acid
- DTXSID70492771
- 62402-52-2
- 2-{4-[Hydroxy(phenyl)methyl]phenoxy}-2-methylpropanoic acid
-
- Inchi: 1S/C17H18O4/c1-17(2,16(19)20)21-14-10-8-13(9-11-14)15(18)12-6-4-3-5-7-12/h3-11,15,18H,1-2H3,(H,19,20)
- InChI Key: PCHVMVBMOYTJCU-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=CC=1)C(C1C=CC=CC=1)O)C(C(=O)O)(C)C
Computed Properties
- Exact Mass: 286.12054
- Monoisotopic Mass: 286.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 339
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Propanoic acid, 2-[4-(hydroxyphenylmethyl)phenoxy]-2-methyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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