Strontium;(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate

Catalog Number	ACM36830747-2
CAS	36830-74-7
Structure
Synonyms	Strontium tetramethylheptanedionate
Molecular Weight	454.2
Molecular Formula	C22H38O4Sr
Canonical SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Sr+2]
InChI	InChI=1S/2C11H20O2.Sr/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;+2/p-2/b2*8-7-;
InChI Key	WQTMVGGQTAPQJQ-ATMONBRVSA-L
Melting Point	110-112 °C
Purity	99%+
Exact Mass	454.18262194
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Sr+2]
Monoisotopic Mass	454.18262194
Rotatable Bond Count	6
Topological Polar Surface Area	80.3 Ų