Cas no 111955-47-6 (Tartaric anhydride dibenzoate)
Tartaric anhydride dibenzoate structure
Product Name:Tartaric anhydride dibenzoate
CAS No:111955-47-6
MF:C18H12O7
MW:340.283685684204
CID:2845710
Update Time:2023-08-09
Tartaric anhydride dibenzoate Chemical and Physical Properties
Names and Identifiers
-
- Tartaric anhydride dibenzoate
- (4-benzoyloxy-2,5-dioxooxolan-3-yl) benzoate
- (+)-DIBENZOYL-L-TARTARIC ANHYDRIDE
- 2,5-dioxotetrahydrofuran-3,4-diyl dibenzoate
- 2,5-Furandione, 3,4-bis(benzoyloxy)dihydro-, (3S,4S)-
- BCP29501
- DI-O-BENZOYLTARTARIC ANHYDRIDE
- 2,3-Dibenzoyl-meso-tartaric anhydride
- 2,5-Dioxooxolane-3,4-diyl dibenzoate
- 3,4-Bis(Benzoyloxy)dihydro
-
- Inchi： 1S/C18H12O7/c19-15(11-7-3-1-4-8-11)23-13-14(18(22)25-17(13)21)24-16(20)12-9-5-2-6-10-12/h1-10,13-14H
- InChI Key： OXIKRMSPXYQFOT-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C1C(=O)OC(C1OC(C1C=CC=CC=1)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 496
- XLogP3: 2.9
- Topological Polar Surface Area: 96
Tartaric anhydride dibenzoate Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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