1. 名前と識別子
- 1.1 商品名
- シュウ酸コバルト(II)
- 1.2 シノニム
- ACMC-1BZOK; AKOS025295782; C2CoO4; Cobalt oxalate; Cobalt oxalate (1:1); Cobalt oxalate (CoC2O4); Cobalt oxalate (VAN); cobalt(2+):oxalate; Cobalt(II) oxalate anhydrous; CTK0G9972; DTXSID10883588; EC 212-409-3; EINECS 212-409-3; Ethanedioic acid, cobalt(2+) salt (1:1); FT-0694915; K452; MFCD00050793; NSC 112245; Oxalic acid cobalt(2+) salt (1:1); Oxalic acid cobalt(II); Oxalic acid, cobalt(2+) salt (1:1) (8CI); Q5138694; R028MNY8UA; UNII-R028MNY8UA;
- 1.3 CAS No.
- 134761-87-8
- 1.4 CID
- 69946
- 1.5 分子式
- C2CoO4
- 1.6 Inchi
- InChI=1S/C2H2O4.Co/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
- 1.7 InchiKey
- MULYSYXKGICWJF-UHFFFAOYSA-L
- 1.8 標準的な SMILES
- C(=O)(C(=O)[O-])[O-].[Co+2]
- 1.9 異性体 SMILES
- C(=O)(C(=O)[O-])[O-].[Co+2]
2. 計算化学データ
- Molecular Weight：146.951g/mol
- Molecular Formula：C2CoO4
- Compound Is Canonicalized：True
- XLogP3-AA：146.912852
- Monoisotopic Mass：146.912852
- Complexity：60.5
- Rotatable Bond Count：0
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：4
- Topological Polar Surface Area：80.3
- Heavy Atom Count：：7
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：2
- CACTVS Substructure Key Fingerprint：AAADcQBAOAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACgAAAAAAAAAAgAAACAAAAAAIAACQCAIAAAAAAAAAAABAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
3. 実際の製品情報
JP
