Cas no 62033-12-9 (4-Isoxazolemethanol, 3,5-diphenyl-)
62033-12-9 structure
Product Name:4-Isoxazolemethanol, 3,5-diphenyl-
CAS No:62033-12-9
MF:C16H13NO2
MW:251.279924154282
CID:460176
PubChem ID:12331064
Update Time:2025-04-19
4-Isoxazolemethanol, 3,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolemethanol, 3,5-diphenyl-
- (3,5-diphenyl-1,2-oxazol-4-yl)methanol
- (3,5-diphenylisoxazol-4-yl)methanol
- 62033-12-9
- DTXSID10490574
-
- Inchi： 1S/C16H13NO2/c18-11-14-15(12-7-3-1-4-8-12)17-19-16(14)13-9-5-2-6-10-13/h1-10,18H,11H2
- InChI Key： JWTCXNWWBAKDLM-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=C(CO)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 251.09469
- Monoisotopic Mass: 251.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 272
- 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: 2.8
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.26
4-Isoxazolemethanol, 3,5-diphenyl- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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