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Structure

Calcium 2-(3-methylbutanoyl)-3-oxoinden-1-olate

CAS
23710-76-1
Catalog Number
ACM23710761
Category
Other Products
Molecular Weight
498.58 g/mol
Molecular Formula
C28H26CaO6

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Specification

Synonyms
Isotrac, Isovalelyl, Valone, calcium salt, Caswell No. 515A, Calcium 2-isovaleryl-1,3-indandione, EPA Pesticide Chemical Code 067706, CID62776, 2-Isovaleryl-1,3-indandione calcium salt, LS-81213, 1,3-Indandione, 2-isovaleryl-, ion(1-), calcium, 23710-76-1
IUPAC Name
calcium 2-(3-methylbutanoyl)-3-oxoinden-1-olate
Canonical SMILES
CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].[Ca+2]
InChI Key
QPYPHJWZWLGYRR-UHFFFAOYSA-L
Boiling Point
405.6ºC at 760mmHg
Flash Point
213.2ºC
Exact Mass
498.13600
H-Bond Acceptor
6
H-Bond Donor
0
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