Cas no 3786-47-8 (Benzoicacid, 3-(1,1-dimethylethyl)-2,5-dihydroxy-)
3786-47-8 structure
Product Name:Benzoicacid, 3-(1,1-dimethylethyl)-2,5-dihydroxy-
CAS No:3786-47-8
MF:C11H14O4
MW:210.226463794708
CID:323452
PubChem ID:220161
Update Time:2025-04-19
Benzoicacid, 3-(1,1-dimethylethyl)-2,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 3-(1,1-dimethylethyl)-2,5-dihydroxy-
- 3-TERT-BUTYL-2,5-DIHYDROXYBENZOIC ACID
- AC1L58BF
- AC1Q5TRQ
- AG-J-16848
- AR-1F5236
- CTK1C6634
- NSC2495
- NSC-2495
- SCHEMBL39336
- 3786-47-8
- DTXSID00277477
-
- Inchi： 1S/C11H14O4/c1-11(2,3)8-5-6(12)4-7(9(8)13)10(14)15/h4-5,12-13H,1-3H3,(H,14,15)
- InChI Key： ZTYUNUXQCPXNQH-UHFFFAOYSA-N
- SMILES： OC1C(C(=O)O)=CC(=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
- LogP: 2.09350
Benzoicacid, 3-(1,1-dimethylethyl)-2,5-dihydroxy- Related Literature
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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
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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