Cas no 61470-52-8 (Benzoic acid, 3,5-diethoxy-4-methoxy-)
61470-52-8 structure
Product Name:Benzoic acid, 3,5-diethoxy-4-methoxy-
CAS No:61470-52-8
MF:C12H16O5
MW:240.252444267273
CID:478110
PubChem ID:20095705
Update Time:2025-04-19
Benzoic acid, 3,5-diethoxy-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3,5-diethoxy-4-methoxy-
- 3,5-diethoxy-4-methoxybenzoic acid
- SCHEMBL9046507
- 61470-52-8
- DTXSID60602342
- ZVXPFXULLLGVPH-UHFFFAOYSA-N
-
- Inchi： 1S/C12H16O5/c1-4-16-9-6-8(12(13)14)7-10(17-5-2)11(9)15-3/h6-7H,4-5H2,1-3H3,(H,13,14)
- InChI Key： ZVXPFXULLLGVPH-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C(=O)O)C=C(C=1OC)OCC
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: 227
- 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: 2.1
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
Benzoic acid, 3,5-diethoxy-4-methoxy- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
61470-52-8 (Benzoic acid, 3,5-diethoxy-4-methoxy-) Related Products
- 2426-87-1(4-(benzyloxy)-3-methoxybenzaldehyde)
- 1916-07-0(Methyl 3,4,5-trimethoxybenzoate)
- 645-08-9(Isovanillic acid)
- 5409-31-4(3,4-Diethoxybenzoic acid)
- 5447-02-9(3,4-Dibenzyloxybenzaldehyde)
- 121-34-6(Vanillic acid)
- 6346-05-0(3-(benzyloxy)-4-methoxybenzaldehyde)
- 530-57-4(Syringic acid)
- 118-41-2(3,4,5-Trimethoxybenzoic acid)
- 93-07-2(Veratric acid)
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