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Calcium heptadecanoate

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Name

Calcium heptadecanoate

EINECS 224-804-8
CAS No. 4499-95-0 Density
Solubility Melting Point
Formula C34H66CaO4 Boiling Point 298.5°C at 760 mmHg
Molecular Weight 578.96344 Flash Point 158.4°C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 4499-95-0 (Calcium heptadecanoate) Hazard Symbols
Synonyms

Heptadecanoicacid, calcium salt (8CI,9CI);Margaric acid calciumsalt;

 

Calcium heptadecanoate Specification

The Calcium heptadecanoate, with the CAS registry number of 4499-95-0, is also known as Bisheptadecanoic acid calcium salt. Its EINECS registry number is 224-804-8. This chemical's molecular formula is C34H66CaO4 and molecular weight is 578.96344. What's more, its systematic name is called Calcium diheptadecanoate.

Physical properties about Calcium heptadecanoate are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 28; (4)Exact Mass: 578.458702; (5)MonoIsotopic Mass: 578.458702; (6)Topological Polar Surface Area: 80.3; (7)Heavy Atom Count: 39; (8)Formal Charge: 0; (9)Complexity: 184; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1) SMILES: [Ca+2].[O-]C(=O)CCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCC
(2) InChI: InChI=1/2C17H34O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2
(3) InChIKey: UJPOLGDCBGQHSF-NUQVWONBAO

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