[Phenyl(5-phenylpent-4-ynoxy)methylidene]chromium

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

	Common Name	[Phenyl(5-phenylpent-4-ynoxy)methylidene]chromium	English Name	[Phenyl(5-phenylpent-4-ynoxy)methylidene]chromium
	CAS NO.	N/A	Molecular Weight	300.3
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₈H₁₆CrO	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	[Phenyl(5-phenylpent-4-ynoxy)methylidene]chromium

Molecular Formula	C18H16CrO
Molecular Weight	300.3
Exact Mass	300.060620
LogP	0.00
Standard SMILES	[Cr]=C(OCCCC#Cc1ccccc1)c1ccccc1
Canonical SMILES	C1=CC=C(C=C1)C#CCCCOC(=[Cr])C2=CC=CC=C2
Isomeric SMILES	C1=CC=C(C=C1)C#CCCCOC(=[Cr])C2=CC=CC=C2
Standard InChI Identifier	InChI=1S/C18H16O.Cr/c1-4-10-17(11-5-1)12-8-3-9-15-19-16-18-13-6-2-7-14-18;/h1-2,4-7,10-11,13-14H,3,9,15H2;
Standard InChI Key	LMCOSLARTGSYGW-UHFFFAOYSA-N
Compound Complexity	350.00
computational chemistry	Hydrogen Bond Acceptor Count：1 Hydrogen Bond Donor Count：0 Rotatable Bond Count：6 Heavy Atom Count：20 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：1 Tautomer Count：-1 Monoisotopic Mass：300.060620