Cas no 66033-93-0 (1,2-Benzisoxazol-6-ol,3-ethyl-(9CI))
66033-93-0 structure
Product Name:1,2-Benzisoxazol-6-ol,3-ethyl-(9CI)
CAS No:66033-93-0
MF:C9H9NO2
MW:163.173262357712
CID:963017
Update Time:2023-11-19
1,2-Benzisoxazol-6-ol,3-ethyl-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzisoxazol-6-ol,3-ethyl-(9CI)
- 3-ethylbenzo[d]isoxazol-6-ol
- CID 136295738
- 1,2-Benzisoxazol-6-ol, 3-ethyl-
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- Inchi: 1S/C9H9NO2/c1-2-8-7-4-3-6(11)5-9(7)12-10-8/h3-5,11H,2H2,1H3
- InChI Key: JKBGIUSYZSSVET-UHFFFAOYSA-N
- SMILES: O1C2C=C(C=CC=2C(CC)=N1)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- Topological Polar Surface Area: 46.3
Experimental Properties
- Density: 1.247±0.06 g/cm3(Predicted)
- Boiling Point: 316.8±22.0 °C(Predicted)
- pka: 8.39±0.40(Predicted)
1,2-Benzisoxazol-6-ol,3-ethyl-(9CI) Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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