Cas no 98114-50-2 (3-(2,6-dihydroxyphenyl)propanoic acid)
98114-50-2 structure
Product Name:3-(2,6-dihydroxyphenyl)propanoic acid
CAS No:98114-50-2
MF:C9H10O4
MW:182.173303127289
CID:1990245
PubChem ID:179006
Update Time:2025-04-21
3-(2,6-dihydroxyphenyl)propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(2,6-dihydroxyphenyl)propanoic acid
- 2,6-dihydroxyBenzenepropanoic acid
- SCHEMBL4012673
- DTXSID00243450
- 98114-50-2
- DA-27108
-
- Inchi： 1S/C9H10O4/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-3,10-11H,4-5H2,(H,12,13)
- InChI Key： VMKIFJTZFHMPTO-UHFFFAOYSA-N
- SMILES： OC1C=CC=C(C=1CCC(=O)O)O
Computed Properties
- Exact Mass: 182.058
- Monoisotopic Mass: 182.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 171
- 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
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- Density: 1.398
- Boiling Point: 449.8°C at 760 mmHg
- Flash Point: 240°C
- Refractive Index: 1.62
3-(2,6-dihydroxyphenyl)propanoic acid Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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