Aluminum trisacetoacetate

Catalog Number	ACM13963570-2
CAS	13963-57-0
Structure
Synonyms	Aluminum acetylacetonate
Molecular Weight	327.33
Molecular Formula	C15H24AlO6
Canonical SMILES	CC(=CC(=[OH+])C)[O-].CC(=CC(=[OH+])C)[O-].CC(=CC(=[OH+])C)[O-].[Al]
InChI	InChI=1S/3C5H8O2.Al/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;
InChI Key	UJFNGLNFNJJCHO-LNTINUHCSA-N
Boiling Point	315 °C
Melting Point	190-193 °C
Flash Point	314-316 °C
Purity	95%+
Density	1.27 g/cm³
Appearance	White to cream crystalline powder
Storage	Store below +30 °C
Complexity	380
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	327.1388269
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isomeric SMILES	C/C(=C/C(=[OH+])C)/[O-].C/C(=C/C(=[OH+])C)/[O-].C/C(=C/C(=[OH+])C)/[O-].[Al]
Monoisotopic Mass	327.1388269
Rotatable Bond Count	3
Topological Polar Surface Area	72.2 Ų