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

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

	Common Name	[(E)-5-(3-but-2-ynoxyphenyl)-1-methoxypent-2-enylidene]chromium	English Name	[(E)-5-(3-but-2-ynoxyphenyl)-1-methoxypent-2-enylidene]chromium
	CAS NO.	N/A	Molecular Weight	294.31
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₆H₁₈CrO₂	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

Molecular Formula	C16H18CrO2
Molecular Weight	294.31
Exact Mass	294.071185
LogP	0.00
Standard SMILES	CC#CCOc1cccc(CCC=CC(=[Cr])OC)c1
Canonical SMILES	CC#CCOC1=CC=CC(=C1)CCC=CC(=[Cr])OC
Isomeric SMILES	CC#CCOC1=CC=CC(=C1)CC/C=C/C(=[Cr])OC
Standard InChI Identifier	InChI=1S/C16H18O2.Cr/c1-3-4-13-18-16-11-8-10-15(14-16)9-6-5-7-12-17-2;/h5,7-8,10-11,14H,6,9,13H2,1-2H3;/b7-5+;
Standard InChI Key	UGMXAXWRPKWCST-GZOLSCHFSA-N
Compound Complexity	361.00
computational chemistry	Hydrogen Bond Acceptor Count：2 Hydrogen Bond Donor Count：0 Rotatable Bond Count：7 Heavy Atom Count：19 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：1 Tautomer Count：-1 Monoisotopic Mass：294.071185