Cas no 62939-02-0 (1,3,5-Benzenetriol, dibenzoate)
62939-02-0 structure
Product Name:1,3,5-Benzenetriol, dibenzoate
CAS No:62939-02-0
MF:C20H18O7
MW:370.352726459503
CID:428523
PubChem ID:71381756
Update Time:2025-04-19
1,3,5-Benzenetriol, dibenzoate Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Benzenetriol, dibenzoate
- benzene-1,3,5-triol,benzoic acid
- Benzoic acid--benzene-1,3,5-triol (2/1)
- 62939-02-0
- DTXSID40804180
-
- Inchi： 1S/2C7H6O2.C6H6O3/c2*8-7(9)6-4-2-1-3-5-6;7-4-1-5(8)3-6(9)2-4/h2*1-5H,(H,8,9);1-3,7-9H
- InChI Key： HUOITBOJIAIFGP-UHFFFAOYSA-N
- SMILES： OC1C=C(C=C(C=1)O)O.OC(C1C=CC=CC=1)=O.OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 370.10524
- Monoisotopic Mass: 370.10525291g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 167
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 135?2
Experimental Properties
- PSA: 135.29
1,3,5-Benzenetriol, dibenzoate Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
62939-02-0 (1,3,5-Benzenetriol, dibenzoate) Related Products
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- 5995-86-8(Gallic acid hydrate)
- 99-06-9(3-Hydroxybenzoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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