Cas no 57121-95-6 (1,3-Benzenedipropanoic acid, 4,6-dimethoxy-)
57121-95-6 structure
Product Name:1,3-Benzenedipropanoic acid, 4,6-dimethoxy-
CAS No:57121-95-6
MF:C14H18O6
MW:282.289124965668
CID:346408
PubChem ID:12266605
Update Time:2025-04-19
1,3-Benzenedipropanoic acid, 4,6-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedipropanoic acid, 4,6-dimethoxy-
- 3-[5-(2-carboxyethyl)-2,4-dimethoxyphenyl]propanoic acid
- DTXSID60483153
- 57121-95-6
-
- Inchi： 1S/C14H18O6/c1-19-11-8-12(20-2)10(4-6-14(17)18)7-9(11)3-5-13(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
- InChI Key： VVFQCRYXLKMRCC-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=CC=1CCC(=O)O)CCC(=O)O)OC
Computed Properties
- Exact Mass: 282.11034
- Monoisotopic Mass: 282.11033829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 300
- 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: 1.4
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- PSA: 93.06
1,3-Benzenedipropanoic acid, 4,6-dimethoxy- Related Literature
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1. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
57121-95-6 (1,3-Benzenedipropanoic acid, 4,6-dimethoxy-) Related Products
- 40492-92-0(3-(2-Phenoxyphenyl)propanoic acid)
- 6342-77-4(3-(2-Methoxyphenyl)propionic acid)
- 33209-75-5(4-(2-methoxyphenyl)butanoic acid)
- 1083-11-0(4-(2,5-Dimethoxyphenyl)butanoic Acid)
- 10538-49-5(3-(2,5-Dimethoxyphenyl)propanoic acid)
- 5631-68-5(3-(2,4-Dihydroxyphenyl)propanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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