CAS No.1291-72-1,3-FERROCENOYLPROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1291-72-1
Name:	3-FERROCENOYLPROPIONIC ACID

Formula:	C₁₄H₁₄FeO₃
Molecular Weight:	286.1
Synonyms:	Iron,[(3-carboxypropionyl)cyclopentadienyl]cyclopentadienyl- (6CI,7CI);3-(Ferrocenylcarbonyl)propionic acid;4-Oxo-4-ferrocenylbutyric acid;NSC156965;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	54.37000
LogP:	1.84460

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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