Cas no 953387-95-6 ((3,4-dimethoxyphenyl) 2,3,4-trimethoxybenzoate)
953387-95-6 structure
Product Name:(3,4-dimethoxyphenyl) 2,3,4-trimethoxybenzoate
CAS No:953387-95-6
MF:C18H20O7
MW:348.347206115723
CID:1985424
Update Time:2024-12-25
(3,4-dimethoxyphenyl) 2,3,4-trimethoxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- (3,4-dimethoxyphenyl) 2,3,4-trimethoxybenzoate
- LogP
- Benzoic acid, 2,3,4-trimethoxy-, 3,4-dimethoxyphenyl ester
-
- Inchi： 1S/C18H20O7/c1-20-13-8-6-11(10-15(13)22-3)25-18(19)12-7-9-14(21-2)17(24-5)16(12)23-4/h6-10H,1-5H3
- InChI Key： LDCMFZIDVAWOPU-UHFFFAOYSA-N
- SMILES： C(OC1=CC=C(OC)C(OC)=C1)(=O)C1=CC=C(OC)C(OC)=C1OC
Computed Properties
- Exact Mass: 348.121
- Monoisotopic Mass: 348.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 8
- Complexity: 416
- 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
- Topological Polar Surface Area: 72.4A^2
Experimental Properties
- Density: 1.189±0.06 g/cm3(Predicted)
- Boiling Point: 494.0±45.0 °C(Predicted)
(3,4-dimethoxyphenyl) 2,3,4-trimethoxybenzoate Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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