bis(4-hydroxypent-3-en-2-one) iron

bis(4-hydroxypent-3-en-2-one) iron

CAS: 14024-17-0

Formula: C10H16FeO4

SMILES: [Fe].CC(O)=CC(C)=O.CC(O)=CC(C)=O

IUPAC: bis(4-hydroxypent-3-en-2-one) iron

InChI: InChI=1S/2C5H8O2.Fe/c21-4(6)3-5(2)7;/h23,6H,1-2H3;

Composition: C (46.90%), H (6.30%), Fe (21.81%), O (24.99%)

Molar Mass: 256.079

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	256.039795
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LFKXWKGYHQXRQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.64
Topological Polar Surface Area	37.3
Polarizability	10.4
Ring Count	0
Rotatable Bond Count	2

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