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シュウ酸コバルト(II) 分子構造
シュウ酸コバルト(II) 分子構造

シュウ酸コバルト(II)

IUPAC名称:cobalt(2+);oxalate
CAS登録番号: 134761-87-8
分子:146.951
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

すべてを表示
1.3 CAS登録番号
134761-87-8
1.4 CID
69946
1.5 分子式
C2CoO4 (isomer)
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. 性質
2.1 PSA
80.26000
3. 計算化学データ
  • 分子: 146.951g/mol
  • 分子式: C2CoO4
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 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==
5. 実際の製品情報