Calcium 3-methyl-2-oxobutanoate - CAS 51828-94-5
Catalog: |
BB027617 |
Product Name: |
Calcium 3-methyl-2-oxobutanoate |
CAS: |
51828-94-5 |
Synonyms: |
Calcium alpha-ketovaline; 3-Methyl-2-oxobutyric Acid Calcium Salt; Calcium 3-methyl-2-oxobutyrate (1:2); α-Ketoisovaleric Acid Calcium Salt |
Related CAS: | 759-05-7 (free acid)
|
IUPAC Name: | calcium;3-methyl-2-oxobutanoate |
Description: | Calcium alpha-ketovaline (CAS# 51828-94-5) is used in preparation of (Fluoreneylmethoxycarbonylamino)-methyl-butenoic Acid. |
Molecular Weight: | 270.29 |
Molecular Formula: | C10H14CaO6 |
Canonical SMILES: | CC(C)C(=O)C(=O)[O-].CC(C)C(=O)C(=O)[O-].[Ca+2] |
InChI: | InChI=1S/2C5H8O3.Ca/c2*1-3(2)4(6)5(7)8;/h2*3H,1-2H3,(H,7,8);/q;;+2/p-2 |
InChI Key: | IMZGMVJQWNJKCI-UHFFFAOYSA-L |
Melting Point: | >330°C |
Solubility: | Soluble in DMSO (Slightly), Water (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at -20°C |
MDL: | MFCD00002580 |
LogP: | 0.43800 |
Publication Number | Title | Priority Date |
CN-112062693-A | Synthetic method of 2- (9H-fluorene-9-methoxycarbonylamino) -3-methyl-2-butenoic acid | 20200923 |
PH-22020000294-U1 | Enhanced vanilla scent and flavor on tablets of ketoanalogues + essential amino acids | 20200629 |
EP-3881766-A1 | Bio-electrode, method for manufacturing bio-electrode, and method for measuring biological signal | 20200319 |
JP-2021151436-A | Bioelectrode, manufacturing method of bioelectrode, and measuring method of biological signal | 20200319 |
KR-20210117952-A | Bio-electrode, method for manufacturing bio-electrode, and method for measuring biological signal | 20200319 |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.041629 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.041629 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 114 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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