Cas no 53103-17-6 (1,3-Benzenedicarboxylic acid, 2,4-dihydroxy-6-methyl-, diethyl ester)
53103-17-6 structure
Product Name:1,3-Benzenedicarboxylic acid, 2,4-dihydroxy-6-methyl-, diethyl ester
CAS No:53103-17-6
MF:C13H16O6
MW:268.262544631958
CID:358039
PubChem ID:12330963
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 2,4-dihydroxy-6-methyl-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 2,4-dihydroxy-6-methyl-, diethyl ester
- diethyl 2,4-dihydroxy-6-methylbenzene-1,3-dicarboxylate
- DTXSID40490567
- Orcin-dicarbonsaure-diathylester
- SCHEMBL11321147
- 53103-17-6
-
- Inchi： 1S/C13H16O6/c1-4-18-12(16)9-7(3)6-8(14)10(11(9)15)13(17)19-5-2/h6,14-15H,4-5H2,1-3H3
- InChI Key： IEQGBXVDTCHPBY-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(=C(C(=O)OCC)C(=CC=1C)O)O)=O
Computed Properties
- Exact Mass: 268.09468
- Monoisotopic Mass: 268.09468823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 329
- 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: 3.1
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- PSA: 93.06
1,3-Benzenedicarboxylic acid, 2,4-dihydroxy-6-methyl-, diethyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
53103-17-6 (1,3-Benzenedicarboxylic acid, 2,4-dihydroxy-6-methyl-, diethyl ester) Related Products
- 2524-37-0(ethyl 2,4-dihydroxy-6-methyl-benzoate)
- 33528-09-5(Methyl 2-hydroxy-6-methylbenzoate)
- 4670-17-1(1,3-Isobenzofurandione,4,6-dimethoxy-)
- 3943-91-7(Ethyl 2, 5-Dihydroxybenzoate)
- 28281-58-5(7-methoxy-1(3H)-Isobenzofuranone)
- 6520-83-8(Ethyl 2-methoxy-6-methylbenzoate)
- 6555-40-4(Ethyl 2-hydroxy-6-methylbenzoate)
- 3187-58-4(Methyl 2,4-dihydroxy-6-methylbenzoate)
- 37418-88-5(3-Hydroxyphthalic anhydride)
- 4143-00-4(Ethyl 2,4-dihydroxybenzoate)
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