Cas no 647029-22-9 (Ethanone, 1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-)
![Ethanone, 1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]- structure](https://ossimg.kuujia.com/scimg/647500/647029-22-9x500.png)
647029-22-9 structure
Product Name:Ethanone, 1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-
CAS No:647029-22-9
MF:C10H12O3
MW:180.200483322144
CID:417928
PubChem ID:11252337
Update Time:2025-04-19
Ethanone, 1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-
- 1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethanone
- 647029-22-9
- DTXSID30460118
-
- Inchi： 1S/C10H12O3/c1-6-3-8(5-11)10(13)9(4-6)7(2)12/h3-4,11,13H,5H2,1-2H3
- InChI Key： ZHXRVXUUAHVLEW-UHFFFAOYSA-N
- SMILES： OC1C(C(C)=O)=CC(C)=CC=1CO
Computed Properties
- Exact Mass: 180.078644241g/mol
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 191
- 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: 1.3
- Topological Polar Surface Area: 57.5?2
Ethanone, 1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
647029-22-9 (Ethanone, 1-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-) Related Products
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