Cas no 5330-57-4 (Benzoicacid, 4-(1,1-dimethylethyl)-2,5-dihydroxy-)
5330-57-4 structure
Product Name:Benzoicacid, 4-(1,1-dimethylethyl)-2,5-dihydroxy-
CAS No:5330-57-4
MF:C11H14O4
MW:210.226463794708
CID:386963
PubChem ID:220160
Update Time:2025-04-19
Benzoicacid, 4-(1,1-dimethylethyl)-2,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 4-(1,1-dimethylethyl)-2,5-dihydroxy-
- 4-TERT-BUTYL-2,5-DIHYDROXYBENZOIC ACID
- 5330-57-4
- NSC2494
- DTXSID40277476
- NSC-2494
- SCHEMBL11760104
-
- Inchi： 1S/C11H14O4/c1-11(2,3)7-5-8(12)6(10(14)15)4-9(7)13/h4-5,12-13H,1-3H3,(H,14,15)
- InChI Key： HXRNAHTXZNOPRD-UHFFFAOYSA-N
- SMILES： OC1C=C(C(=O)O)C(=CC=1C(C)(C)C)O
Computed Properties
- Exact Mass: 210.08922
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 244
- 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: 3
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
Benzoicacid, 4-(1,1-dimethylethyl)-2,5-dihydroxy- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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