Cas no 861136-08-5 (3-Isoxazolemethanol, a-methyl-5-(1-methylethyl)-)
861136-08-5 structure
Product Name:3-Isoxazolemethanol, a-methyl-5-(1-methylethyl)-
CAS No:861136-08-5
MF:C8H13NO2
MW:155.194322347641
CID:718235
PubChem ID:45117986
Update Time:2025-04-19
3-Isoxazolemethanol, a-methyl-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 3-Isoxazolemethanol, a-methyl-5-(1-methylethyl)-
- 3-Isoxazolemethanol, -alpha--methyl-5-(1-methylethyl)-
- 861136-08-5
- SCHEMBL3760655
- 1-(5-isopropylisoxazol-3-yl)ethanol
- SVUWJPWXNAADQO-UHFFFAOYSA-N
- 1-(5-i-propyl-isoxazol-3-yl)ethanol
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- Inchi： 1S/C8H13NO2/c1-5(2)8-4-7(6(3)10)9-11-8/h4-6,10H,1-3H3
- InChI Key： SVUWJPWXNAADQO-UHFFFAOYSA-N
- SMILES： O1C(=CC(C(C)O)=N1)C(C)C
Computed Properties
- Exact Mass: 155.095
- Monoisotopic Mass: 155.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.3A^2
- XLogP3: 1.1
3-Isoxazolemethanol, a-methyl-5-(1-methylethyl)- Related Literature
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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