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Name	Cyclohexanebutanoicacid, iron(3+) salt (3:1)	EINECS	275-822-8
CAS No.	71672-87-2	Density	N/A
PSA	120.39000	LogP	4.45820
Solubility	N/A	Melting Point	N/A
Formula	C₁₀H₁₈O₂.1/3Fe	Boiling Point	N/A
Molecular Weight	566.57	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Cyclohexanebutanoicacid, iron(3+) salt (9CI);Iron(3+) tris(4-cyclohexylbutanoate);Iron tris(4-cyclohexylbutyrate);4-Cyclohexylbutanoate; iron(3+);

Cyclohexanebutanoicacid, iron(3+) salt (3:1) Specification

The Cyclohexanebutanoicacid, iron(3+) salt (3:1) with CAS registry number of 71672-87-2 is also known as Iron tris(4-cyclohexylbutyrate). The IUPAC name is 4-Cyclohexylbutanoate; iron(3+). Its EINECS registry number is 275-822-8. In addition, the formula is C₁₀H₁₈O₂.1/3Fe and the molecular weight is 566.57.

Physical properties about Cyclohexanebutanoicacid, iron(3+) salt (3:1) are: (1)#H bond acceptors: 6; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 120.39Å²; (5)Rotatable Bond Count: 9; (6)Exact Mass: 563.303506; (7)MonoIsotopic Mass: 563.303506; (8)Topological Polar Surface Area: 120; (9)Heavy Atom Count: 37; (10)Complexity: 131; (11)Covalently-Bonded Unit Count: 4.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Fe+3]
2. InChI: InChI=1S/3C10H18O2.Fe/c3*11-10(12)8-4-7-9-5-2-1-3-6-9;/h3*9H,1-8H2,(H,11,12);/q;;;+3/p-3
3. InChIKey: HJDHBAIMDQRBBH-UHFFFAOYSA-K

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