[(E)-5-(3-but-2-ynoxyphenyl)-1-methoxypent-2-enylidene]chromium;carbon monoxide

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

	Common Name	[(E)-5-(3-but-2-ynoxyphenyl)-1-methoxypent-2-enylidene]chromium;carbon monoxide	English Name	[(E)-5-(3-but-2-ynoxyphenyl)-1-methoxypent-2-enylidene]chromium;carbon monoxide
	CAS NO.	N/A	Molecular Weight	434.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₁₈CrO₇	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	[(E)-5-(3-but-2-ynoxyphenyl)-1-methoxypent-2-enylidene]chromium;carbon monoxide

Molecular Formula	C21H18CrO7
Molecular Weight	434.4
Exact Mass	434.045758
LogP	0.00
Standard SMILES	CC#CCOc1cccc(CCC=CC(=[Cr])OC)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
Canonical SMILES	CC#CCOC1=CC=CC(=C1)CCC=CC(=[Cr])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
Isomeric SMILES	CC#CCOC1=CC=CC(=C1)CC/C=C/C(=[Cr])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
Standard InChI Identifier	InChI=1S/C16H18O2.5CO.Cr/c1-3-4-13-18-16-11-8-10-15(14-16)9-6-5-7-12-17-2;5*1-2;/h5,7-8,10-11,14H,6,9,13H2,1-2H3;;;;;;/b7-5+;;;;;;
Standard InChI Key	MJZOWWGHWHEMJA-OXHJFYPWSA-N
Compound Complexity	371.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：0 Rotatable Bond Count：7 Heavy Atom Count：29 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：1 Defined Chiral Bond Count：1 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：6 Tautomer Count：-1 Monoisotopic Mass：434.045758