Cas no 115218-91-2 (1,4-Benzenedicarboxylic acid, bis(4-hydroxymethylphenyl) ester)
115218-91-2 structure
Product Name:1,4-Benzenedicarboxylic acid, bis(4-hydroxymethylphenyl) ester
CAS No:115218-91-2
MF:C22H18O6
MW:378.374726772308
CID:1205158
PubChem ID:53816058
Update Time:2025-04-20
1,4-Benzenedicarboxylic acid, bis(4-hydroxymethylphenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, bis(4-hydroxymethylphenyl) ester
- bis[4-(hydroxymethyl)phenyl] benzene-1,4-dicarboxylate
- SCHEMBL8961201
- DTXSID30706881
- 115218-91-2
-
- Inchi： 1S/C22H18O6/c23-13-15-1-9-19(10-2-15)27-21(25)17-5-7-18(8-6-17)22(26)28-20-11-3-16(14-24)4-12-20/h1-12,23-24H,13-14H2
- InChI Key： FSKQKHRBQUUIJF-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C(=O)OC2C=CC(CO)=CC=2)=CC=1)=O)C1C=CC(CO)=CC=1
Computed Properties
- Exact Mass: 378.11034
- Monoisotopic Mass: 378.11033829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 8
- Complexity: 451
- 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
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- PSA: 93.06
1,4-Benzenedicarboxylic acid, bis(4-hydroxymethylphenyl) ester Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
115218-91-2 (1,4-Benzenedicarboxylic acid, bis(4-hydroxymethylphenyl) ester) Related Products
- 744-45-6(Diphenyl isophthalate)
- 93-44-7(naphthalen-2-yl benzoate)
- 93-99-2(Phenyl benzoate)
- 94-30-4(Ethyl 4-methoxybenzoate)
- 94-01-9(1,3-Dibenzoyloxybenzene)
- 2345-34-8(4-Acetoxybenzoic acid)
- 2150-37-0(Methyl 3,5-dimethoxybenzoate)
- 5368-81-0(Methyl 3-methoxybenzoate)
- 121-98-2(Methyl 4-methoxybenzoate)
- 1486-51-7(4-Benzyloxybenzoic acid)
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