Carbon monoxide;chromium;methyl benzoate

Catalog Number	ACM12125870-1
CAS	12125-87-0
Structure
Synonyms	Tricarbonyl(methyl benzoate)chromium
Molecular Weight	272.17
Molecular Formula	C11H8CrO5
Canonical SMILES	COC(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChI	InChI=1S/C8H8O2.3CO.Cr/c1-10-8(9)7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;
InChI Key	GEALMZJLYGNHRA-UHFFFAOYSA-N
Melting Point	95-96 °C
Purity	98%
Exact Mass	271.977678
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	271.977678
Rotatable Bond Count	2
Topological Polar Surface Area	29.3 Ų