Cas no 5985-25-1 (Diethyl 4-hydroxybenzene-1,3-dicarboxylate)
5985-25-1 structure
Product Name:Diethyl 4-hydroxybenzene-1,3-dicarboxylate
CAS No:5985-25-1
MF:C12H14O5
MW:238.236564159393
CID:1617554
PubChem ID:256772
Update Time:2025-04-21
Diethyl 4-hydroxybenzene-1,3-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- Diethyl 4-hydroxybenzene-1,3-dicarboxylate
- 4-Hydroxyisophthalic acid, diethyl ester
- Diethyl 4-hydroxyisophthalate
- 4-hydroxy-isophthalic acid diethyl ester
- 4-Hydroxy-isophthalsaeure-diaethylester
- Isophthalic acid, 4-hydroxy-, diethyl ester
- 4-hydroxyisophthalic acid diethyl ester
- AC1Q64G8
- UNII-L907M9989M
- 4-Hydroxy-isophthalsaeure-diethylester
- AC1L5VCI
- Ethyl 3-(Ethoxycarbonyl)-4-hydroxybenzoate
- 1, 4-hydroxy-, diethyl ester
- SureCN10570974
- 4-Hydroxyisophthalic acid, diethyl ester; Diethyl 4-hydroxyisophthalate; 4-hydroxy-isophthalic acid diethyl ester; 4-Hydroxy-isophthalsaeure-diaethylester; Isophthalic acid, 4-hydroxy-, diethyl ester; 4-hydroxyisophthalic acid diethyl ester; AC1Q64G8; UNII-L907M9989M; 4-Hydroxy-isophthalsaeure-diethylester; AC1L5VCI; Ethyl 3-(Ethoxycarbonyl)-4-hydroxybenzoate; 1, 4-hydroxy-, diethyl ester; SureCN10570974;
- 1,3-Benzenedicarboxylic acid, 4-hydroxy-, diethyl ester
- 1,3-Benzenedicarboxylic acid, 4-hydroxy-, 1,3-diethyl ester
- 5985-25-1
- 4-Hydroxyisophthalic acid diethyl ester [MI]
- Q27282849
- NSC-84110
- DTXSID90208573
- NSC84110
- L907M9989M
- SCHEMBL10570974
-
- Inchi： 1S/C12H14O5/c1-3-16-11(14)8-5-6-10(13)9(7-8)12(15)17-4-2/h5-7,13H,3-4H2,1-2H3
- InChI Key： BPSXYFMGSNKFDZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(=CC=C(C(=O)OCC)C=1)O)=O
Computed Properties
- Exact Mass: 238.08412
- Monoisotopic Mass: 238.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 276
- 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: 3.2
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
- LogP: 1.74560
Diethyl 4-hydroxybenzene-1,3-dicarboxylate Related Literature
-
Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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