Cas no 60508-85-2 ((2,5-dihydroxy-phenyl)-acetic acid methyl ester)
60508-85-2 structure
Product Name:(2,5-dihydroxy-phenyl)-acetic acid methyl ester
CAS No:60508-85-2
MF:C9H10O4
MW:182.173303127289
CID:2068220
PubChem ID:13790504
Update Time:2025-04-21
(2,5-dihydroxy-phenyl)-acetic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- (2,5-dihydroxy-phenyl)-acetic acid methyl ester
- (2,5-Dihydroxy-phenyl)-essigsaeure-methylester
- Me ester-(2,5-Dihydroxyphenyl)acetic acid
- methyl (2,5-dihydroxyphenyl)acetate
- methyl 2,5-dihydroxyphenylacetate
- methyl 2-(2,5-dihydroxyphenyl)acetate
- ULASCVJUGWDMFN-UHFFFAOYSA-N
- 60508-85-2
- SCHEMBL3545527
- 2,5-dihydroxyphenylacetic acid methylester
-
- Inchi： 1S/C9H10O4/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4,10-11H,5H2,1H3
- InChI Key： ULASCVJUGWDMFN-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1CC(=O)OC)O
Computed Properties
- Exact Mass: 182.05790880g/mol
- Monoisotopic Mass: 182.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 181
- 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: 66.8?2
(2,5-dihydroxy-phenyl)-acetic acid methyl ester Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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