Cas no 138995-18-3 (Calciumvalproat-dihydrat)
Calciumvalproat-dihydrat structure
Product Name:Calciumvalproat-dihydrat
CAS No:138995-18-3
MF:C8H18CaO3
MW:202.304722309113
CID:902511
Update Time:2022-07-26
Calciumvalproat-dihydrat Chemical and Physical Properties
Names and Identifiers
-
- Calciumvalproat-dihydrat
-
- Inchi： 1S/C8H16O2.Ca.H2O.2H/c1-3-5-7(6-4-2)8(9)10;;;;/h7H,3-6H2,1-2H3,(H,9,10);;1H2;;
- InChI Key： KYNFWLSPPBTQDK-UHFFFAOYSA-N
- SMILES： C(C(=O)O)(CCC)CCC.[Ca].O
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 8
- Complexity: 597
- 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
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: 3.3
Calciumvalproat-dihydrat Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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