Cas no 760947-24-8 (Benzoic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester (9CI))
760947-24-8 structure
Product Name:Benzoic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester (9CI)
CAS No:760947-24-8
MF:C11H14O4
MW:210.226463794708
CID:1023050
PubChem ID:45093160
Update Time:2025-04-20
Benzoic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester (9CI)
- tert-butyl 3,4-dihydroxybenzoate
- SCHEMBL39054
- DTXSID90667146
- 760947-24-8
-
- Inchi： 1S/C11H14O4/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6,12-13H,1-3H3
- InChI Key： SKJCXMOGQFVKJJ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=C(C=1)O)O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 210.08922
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 231
- 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: 2.5
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Benzoic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester (9CI) Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
760947-24-8 (Benzoic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester (9CI)) Related Products
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