Cas no 61658-78-4 (Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, phenyl ester)
61658-78-4 structure
Product Name:Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, phenyl ester
CAS No:61658-78-4
MF:C17H18O3
MW:270.323025226593
CID:471051
PubChem ID:727204
Update Time:2025-04-19
Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, phenyl ester
- phenyl 5-tert-butyl-2-hydroxybenzoate
- phenyl 5-(tert-butyl)-2-hydroxybenzoate
- ST029308
- DTXSID10352466
- 61658-78-4
- AKOS024280011
- BRD-K61198876-001-01-2
- SCHEMBL12443402
- TimTec1_002250
- HMS1540G06
-
- Inchi： 1S/C17H18O3/c1-17(2,3)12-9-10-15(18)14(11-12)16(19)20-13-7-5-4-6-8-13/h4-11,18H,1-3H3
- InChI Key： VXAKYUAEEDTDNG-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1C(=O)OC1C=CC=CC=1)C(C)(C)C
Computed Properties
- Exact Mass: 270.12564
- Monoisotopic Mass: 270.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 326
- 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: 5.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, phenyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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