Carbon monoxide;[phenyl(5-phenylpent-4-ynoxy)methylidene]chromium

Update Time: 2025-04-25 16:31:57

	Common Name	Carbon monoxide;[phenyl(5-phenylpent-4-ynoxy)methylidene]chromium	English Name	Carbon monoxide;[phenyl(5-phenylpent-4-ynoxy)methylidene]chromium
	CAS NO.	N/A	Molecular Weight	440.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₃H₁₆CrO₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	Carbon monoxide;[phenyl(5-phenylpent-4-ynoxy)methylidene]chromium

Molecular Formula	C23H16CrO6
Molecular Weight	440.4
Exact Mass	440.035193
LogP	0.00
Standard SMILES	[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]=C(OCCCC#Cc1ccccc1)c1ccccc1
Canonical SMILES	[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C#CCCCOC(=[Cr])C2=CC=CC=C2
Isomeric SMILES	[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C#CCCCOC(=[Cr])C2=CC=CC=C2
Standard InChI Identifier	InChI=1S/C18H16O.5CO.Cr/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18;5*1-2;/h1-2,4-7,10-11,13-14H,3,9,15H2;;;;;;
Standard InChI Key	LABPMCXRQAIIBS-UHFFFAOYSA-N
Compound Complexity	360.00
computational chemistry	Hydrogen Bond Acceptor Count：6 Hydrogen Bond Donor Count：0 Rotatable Bond Count：6 Heavy Atom Count：30 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：6 Tautomer Count：-1 Monoisotopic Mass：440.035193