Cas no 120208-31-3 ([3,3-Biisoxazole]-5-methanol(6CI))
![[3,3-Biisoxazole]-5-methanol(6CI) structure](https://ossimg.kuujia.com/scimg/120500/120208-31-3x500.png)
120208-31-3 structure
Product Name:[3,3-Biisoxazole]-5-methanol(6CI)
CAS No:120208-31-3
MF:C7H6N2O3
MW:166.13414144516
CID:105068
PubChem ID:57357397
Update Time:2025-04-18
[3,3-Biisoxazole]-5-methanol(6CI) Chemical and Physical Properties
Names and Identifiers
-
- [3,3-Biisoxazole]-5-methanol(6CI)
- [3-(1,2-oxazol-3-yl)-1,2-oxazol-5-yl]methanol
- [3,3'-Biisoxazole]-5-methanol
- [3,3'-biisoxazol]-5-ylmethanol
- ([3,3'-Bi-1,2-oxazol]-5-yl)methanol
- DTXSID80723669
- 120208-31-3
- [3,3-Biisoxazole]-5-methanol
- DB-258449
-
- Inchi： 1S/C7H6N2O3/c10-4-5-3-7(9-12-5)6-1-2-11-8-6/h1-3,10H,4H2
- InChI Key： KGMXOLGOPZWHKU-UHFFFAOYSA-N
- SMILES： O1C(CO)=CC(C2C=CON=2)=N1
Computed Properties
- Exact Mass: 166.03788
- Monoisotopic Mass: 166.03784206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 156
- 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: -0.3
- Topological Polar Surface Area: 72.3?2
Experimental Properties
- PSA: 72.29
[3,3-Biisoxazole]-5-methanol(6CI) Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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