2414-98-4 Purity
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Specification
The molecular formula of Calcium methoxide is C2H6CaO2.
The molecular weight of Calcium methoxide is 102.15 g/mol.
The IUPAC Name of Calcium methoxide is calcium;methanolate.
The InChI of Calcium methoxide is InChI=1S/2CH3O.Ca/c2*1-2;/h2*1H3;/q2*-1;+2.
The InChIKey of Calcium methoxide is AMJQWGIYCROUQF-UHFFFAOYSA-N.
The canonical SMILES of Calcium methoxide is C[O-].C[O-].[Ca+2].
The hydrogen bond donor count of Calcium methoxide is 0.
The hydrogen bond acceptor count of Calcium methoxide is 2.
The rotatable bond count of Calcium methoxide is 0.
Yes, Calcium methoxide is a canonicalized compound.
Reference: [1]Robinson; Scott
[Journal of the Chemical Society, 1931, p. 704]
[2]Location in patent: experimental part
Masood, Hassan; Yunus, Robiah; Choong, Thomas S.Y.; Rashid, Umer; Taufiq Yap, Yun H.
[Applied Catalysis A: General, 2012, vol. 425-426, p. 184 - 190]
[3]Peruzzo, Valentina; Chiurato, Matteo Andrea; Tomasin, Patrizia; Traldi, Pietro; Favaro, Monica
[European Journal of Mass Spectrometry, 2013, vol. 19, # 4, p. 285 - 293]
[4]Panpraneecharoen; Punsuvon; Puemchalad
[Asian Journal of Chemistry, 2015, vol. 27, # 3, p. 1023 - 1027]
Reference: [1]Harris,T.M.; Wachter,M.P.
[Tetrahedron, 1970, vol. 26, p. 5255 - 5263]
* For details of the synthesis route, please refer to the original source to ensure accuracy.