Cas no 72684-97-0 (Benzoic acid, 4-hydroxy-3,5-dimethoxy-, propyl ester)
72684-97-0 structure
Product Name:Benzoic acid, 4-hydroxy-3,5-dimethoxy-, propyl ester
CAS No:72684-97-0
MF:C12H16O5
MW:240.252444267273
CID:543558
PubChem ID:9837637
Update Time:2025-04-19
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, propyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-hydroxy-3,5-dimethoxy-, propyl ester
- propyl 4-hydroxy-3,5-dimethoxybenzoate
- DTXSID70431600
- 72684-97-0
-
- Inchi： 1S/C12H16O5/c1-4-5-17-12(14)8-6-9(15-2)11(13)10(7-8)16-3/h6-7,13H,4-5H2,1-3H3
- InChI Key： KQLGOZBHTFMGGO-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C(=C(C=1)OC)O)OC)=O)CCC
Computed Properties
- Exact Mass: 240.09978
- Monoisotopic Mass: 240.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 229
- 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: 2.3
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, propyl ester Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
72684-97-0 (Benzoic acid, 4-hydroxy-3,5-dimethoxy-, propyl ester) Related Products
- 1916-07-0(Methyl 3,4,5-trimethoxybenzoate)
- 6178-44-5(Ethyl 3,4,5-Trimethoxybenzoate)
- 3943-80-4(Ethyl 4-hydroxy-3,5-dimethoxybenzoate)
- 1719-88-6(3,4,5-Trimethoxybenzoic Anhydride)
- 3943-77-9(Ethyl 3,4-dimethoxybenzoate)
- 121-79-9(Propyl gallate)
- 617-05-0(Ethyl vanillate)
- 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)
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