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Substance Name: Butanoic acid, 3-hydroxy-3-methyl-, calcium salt, hydtate
RN: 1173700-95-2
InChIKey: XQNZKXFIIRXMQI-UHFFFAOYSA-L

Molecular Formula

  • C5-H10-O3.1/2Ca.H2-O

Molecular Weight

  • 292.339
 
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Names and Synonyms

Synonym

  • Calcium beta-hydroxy-beta-methylbutyrate monohydrate

Systematic Name

  • Butanoic acid, 3-hydroxy-3-methyl-, calcium salt, hydtate

Registry Numbers

CAS Registry Number

  • 1173700-95-2

System Generated Number

  • 1173700952

Structure Descriptors

InChI

1S/2C5H10O3.Ca.H2O/c2*1-5(2,8)3-4(6)7;;/h2*8H,3H2,1-2H3,(H,6,7);;1H2/q;;+2;/p-2

InChIKey

XQNZKXFIIRXMQI-UHFFFAOYSA-L

Smiles

O.[Ca+2].CC(C)(O)CC(=O)[O-].CC(C)(O)CC(=O)[O-]