Cas no 89263-90-1 (Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]-)
89263-90-1 structure
Product Name:Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]-
CAS No:89263-90-1
MF:C16H13NO3
MW:267.279324293137
CID:606253
PubChem ID:136163132
Update Time:2025-04-19
Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
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- Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]-
- 4-[3-(4-methoxyphenyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one
- 89263-90-1
- 4-[3-(4-Methoxyphenyl)-1,2-oxazol-5(2H)-ylidene]cyclohexa-2,5-dien-1-one
- DTXSID10720666
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- Inchi: 1S/C16H13NO3/c1-19-14-8-4-11(5-9-14)15-10-16(20-17-15)12-2-6-13(18)7-3-12/h2-10,18H,1H3
- InChI Key: CGPDTTTWYZYLGP-UHFFFAOYSA-N
- SMILES: O1C(=CC(C2C=CC(=CC=2)OC)=N1)C1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 267.08954328g/mol
- Monoisotopic Mass: 267.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 296
- 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: 3.3
- Topological Polar Surface Area: 55.5?2
Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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