Cas no 26571-78-8 (Benzoic acid, bis(1,1-dimethylethyl)-)
26571-78-8 structure
Product Name:Benzoic acid, bis(1,1-dimethylethyl)-
CAS No:26571-78-8
MF:C15H22O2
MW:234.333984851837
CID:237782
PubChem ID:19875149
Update Time:2025-04-19
Benzoic acid, bis(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, bis(1,1-dimethylethyl)-
- 2,3-ditert-butylbenzoic acid
- SCHEMBL273494
- 26571-78-8
- 2,3-Di-tert-butylbenzoic acid
- DTXSID40600881
-
- Inchi： 1S/C15H22O2/c1-14(2,3)11-9-7-8-10(13(16)17)12(11)15(4,5)6/h7-9H,1-6H3,(H,16,17)
- InChI Key： BXSHAIASGAPXAC-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CC(=C1C(C)(C)C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 234.161979940g/mol
- Monoisotopic Mass: 234.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 280
- 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: 4.8
- Topological Polar Surface Area: 37.3?2
Benzoic acid, bis(1,1-dimethylethyl)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
26571-78-8 (Benzoic acid, bis(1,1-dimethylethyl)-) Related Products
- 2438-04-2(2-Isopropylbenzoic acid)
- 1077-58-3(2-tert-butylbenzoic acid)
- 81770-19-6(4-tert-Butylbiphenyl-3-carboxylic acid)
- 49623-71-4(2,4,6-Triisopropylbenzoic acid)
- 92035-95-5(2,6-Diisopropylbenzoic Acid)
- 612-19-1(2-Ethylbenzoic acid)
- 108961-55-3(2,4-Bis(propan-2-yl)benzoic Acid)
- 14236-13-6(4-(tert-Butyl)phthalic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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