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5261-20-1

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Basic Information
CAS No.: 5261-20-1
Name: ZINC HEPTOATE
Article Data: 2
Molecular Structure:
Molecular Structure of 5261-20-1 (ZINC HEPTOATE)
Formula: C14H26O4Zn
Molecular Weight: 323.748
Synonyms: Heptanoicacid, zinc salt (8CI,9CI);Zinc heptanoate (7CI);Zinc enanthate;Diheptanoic acid zinc salt;
EINECS: 226-069-9
Density: 1.24 g/cm3
Melting Point: 142.9 °C
Boiling Point: 222.6 °C at 760 mmHg
Flash Point: 99.2 °C
PSA: 80.26000
LogP: 1.41090
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Specification

The Heptanoic acid, zincsalt (2:1), with the CAS registry number 5261-20-1, is also known as Diheptanoic acid zinc salt. Its EINECS registry number is 226-069-9. This chemical's molecular formula is C14H26O4Zn and molecular weight is 323.74. What's more, both its IUPAC name and systematic name are the same which is called Zinc diheptanoate.

Physical properties about Heptanoic acid, zincsalt (2:1) are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 5.99; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 74.54; (8)ACD/KOC (pH 7.4): 1.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 99.2 °C; (14)Enthalpy of Vaporization: 48.52 kJ/mol; (15)Boiling Point: 222.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0578 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].[O-]C(=O)CCCCCC.[O-]C(=O)CCCCCC
(2)InChI: InChI=1/2C7H14O2.Zn/c2*1-2-3-4-5-6-7(8)9;/h2*2-6H2,1H3,(H,8,9);/q;;+2/p-2
(3)InChIKey: XWHCUISQLSVNCW-NUQVWONBAS