Pentanoic acid, 3-methyl-2-oxo-, calcium salt, hydrate (2:1:1)

CAS Registry Number®

305808-15-5

CAS Name

Pentanoic acid, 3-methyl-2-oxo-, calcium salt, hydrate (2:1:1)

Molecular Formula

C6H10O3.1/2Ca.1/2H2O

Cite this Page

Pentanoic acid, 3-methyl-2-oxo-, calcium salt, hydrate (2:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=305808-15-5 (retrieved 2024-11-08) (CAS RN: 305808-15-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H10O3.Ca.H2O/c1-3-4(2)5(7)6(8)9;;/h4H,3H2,1-2H3,(H,8,9);;1H2

InChIKey

InChIKey=IWDPOAAASNBTHP-UHFFFAOYSA-N

SMILES

C(C(CC)C)(C(O)=O)=O.[Ca].O

Canonical SMILES

[Ca].O=C(O)C(=O)C(C)CC.O

Other Names for this Substance

  • Pentanoic acid, 3-methyl-2-oxo-, calcium salt, hydrate (2:1:1)
  • Pentanoic acid, 3-methyl-2-oxo-, calcium salt, monohydrate

CAS INSIGHTSTM
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