Cas no 401570-80-7 (Ethanone, 2-hydroxy-1-(5-methyl-3-isoxazolyl)-)
401570-80-7 structure
Product Name:Ethanone, 2-hydroxy-1-(5-methyl-3-isoxazolyl)-
CAS No:401570-80-7
MF:C6H7NO3
MW:141.124681711197
CID:3967331
PubChem ID:22321558
Update Time:2025-04-22
Ethanone, 2-hydroxy-1-(5-methyl-3-isoxazolyl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 2-hydroxy-1-(5-methyl-3-isoxazolyl)-
- TVRRLFHMTUGRMF-UHFFFAOYSA-N
- 401570-80-7
- 2-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)ethan-1-one
- SCHEMBL6291719
- 2-Hydroxy-1-(5-methylisoxazol-3-yl)ethanone
-
- Inchi： 1S/C6H7NO3/c1-4-2-5(7-10-4)6(9)3-8/h2,8H,3H2,1H3
- InChI Key： TVRRLFHMTUGRMF-UHFFFAOYSA-N
- SMILES： C(=O)(C1C=C(C)ON=1)CO
Computed Properties
- Exact Mass: 141.042593085Da
- Monoisotopic Mass: 141.042593085Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 137
- 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: 0.1
- Topological Polar Surface Area: 63.3?2
Ethanone, 2-hydroxy-1-(5-methyl-3-isoxazolyl)- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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