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Chromium(3+);2,2,7-trimethyloctane-3,5-dione

Catalog Number ACM69701413
CAS 69701-41-3
Synonyms Chromium, tris(2,2,7-trimethyl-3,5-octanedionato-O,O')-
Molecular Weight 601.8
Molecular Formula C33H57CrO6
Canonical SMILES CC(C)CC(=O)[CH-]C(=O)C(C)(C)C.CC(C)CC(=O)[CH-]C(=O)C(C)(C)C.CC(C)CC(=O)[CH-]C(=O)C(C)(C)C.[Cr+3]
InChI InChI=1S/3C11H19O2.Cr/c3*1-8(2)6-9(12)7-10(13)11(3,4)5;/h3*7-8H,6H2,1-5H3;/q3*-1;+3
InChI Key PIUQXXJGLWNJRS-UHFFFAOYSA-N
Purity 98%
Complexity 706
Covalently-Bonded Unit Count 4
Exact Mass 601.356019
Heavy Atom Count 40
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 0
Monoisotopic Mass 601.356019
Rotatable Bond Count 9
Topological Polar Surface Area 102 Ų

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