Cas no 88554-09-0 (1,3-Benzenedicarboxylic acid, 2-hydroxy-, diphenyl ester)
88554-09-0 structure
Product Name:1,3-Benzenedicarboxylic acid, 2-hydroxy-, diphenyl ester
CAS No:88554-09-0
MF:C20H14O5
MW:334.322165966034
CID:628930
PubChem ID:22679073
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 2-hydroxy-, diphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 2-hydroxy-, diphenyl ester
- diphenyl 2-hydroxybenzene-1,3-dicarboxylate
- SCHEMBL5712255
- DTXSID60627555
- 88554-09-0
-
- Inchi： 1S/C20H14O5/c21-18-16(19(22)24-14-8-3-1-4-9-14)12-7-13-17(18)20(23)25-15-10-5-2-6-11-15/h1-13,21H
- InChI Key： JQLRTVBTFCQYFV-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(C1C=CC=C(C(=O)OC2C=CC=CC=2)C=1O)=O
Computed Properties
- Exact Mass: 334.08412354g/mol
- Monoisotopic Mass: 334.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 411
- 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: 4.9
- Topological Polar Surface Area: 72.8?2
1,3-Benzenedicarboxylic acid, 2-hydroxy-, diphenyl ester Related Literature
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
88554-09-0 (1,3-Benzenedicarboxylic acid, 2-hydroxy-, diphenyl ester) Related Products
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- 552-94-3(Salsalate)
- 606-45-1(Methyl 2-methoxybenzoate)
- 2065-27-2(Methyl 2,6-dimethoxybenzoate)
- 3686-55-3(Methyl 2-ethoxybenzoate)
- 118-55-8(Phenyl salicylate)
- 50-78-2(Aspirin)
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