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Ferrocene,(3-carboxy-1-oxopropyl)-

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Name

Ferrocene,(3-carboxy-1-oxopropyl)-

EINECS N/A
CAS No. 1291-72-1 Density N/A
PSA 54.37000 LogP 1.84460
Solubility N/A Melting Point N/A
Formula C14H14FeO3 Boiling Point N/A
Molecular Weight 286.1 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1291-72-1 (Ferrocene,(3-carboxy-1-oxopropyl)-) Hazard Symbols N/A
Synonyms

Iron,[(3-carboxypropionyl)cyclopentadienyl]cyclopentadienyl- (6CI,7CI);3-(Ferrocenylcarbonyl)propionic acid;4-Oxo-4-ferrocenylbutyric acid;NSC156965;

 

Ferrocene,(3-carboxy-1-oxopropyl)- Specification

The Ferrocene,(3-carboxy-1-oxopropyl)-, with CAS registry number 1291-72-1, belongs to the following product categories: (1)Industrial/Fine Chemicals; (2)Classes of Metal Compounds; (3)Fe (Iron) Compounds; (4)Ferrocenes; (5)Metallocenes; (6)Transition Metal Compounds. It has the systematic name of cyclopenta-2,4-dien-1-yl-[2-(4-hydroxy-4-oxo-butanoyl)cyclopenta-2,4-dien-1-yl]iron. And the chemical formula of this chemical is C14H14FeO3.

Physical properties of Ferrocene,(3-carboxy-1-oxopropyl)-: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 54.37 Å2.

When you are using this chemical, please be cautious about it as the following:
The Ferrocene,(3-carboxy-1-oxopropyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(C=C1)[Fe]C2C=CC=C2C(=O)CCC(=O)O
(2)InChI: InChI=1/C9H9O3.C5H5.Fe/c10-8(5-6-9(11)12)7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H,5-6H2,(H,11,12);1-5H;/rC14H14FeO3/c16-13(8-9-14(17)18)11-6-3-7-12(11)15-10-4-1-2-5-10/h1-7,10,12H,8-9H2,(H,17,18)
(3)InChIKey: JCOYMRFBLFHBAR-FPSZTERWAXStd. InChI
(4)InChI=1S/C9H9O3.C5H5.Fe/c10-8(5-6-9(11)12)7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H,5-6H2,(H,11,12);1-5H
(5)Std. InChIKey: JCOYMRFBLFHBAR-UHFFFAOYSA-N

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