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19855-56-2

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Basic Information
CAS No.: 19855-56-2
Name: CALCIUM FUMARATE
Article Data: 4
Molecular Structure:
Molecular Structure of 19855-56-2 (CALCIUM FUMARATE)
Formula: C4H4CaO4
Molecular Weight: 154.135
Synonyms: 2-Butenedioicacid (E)-, calcium salt (1:1);Fumaric acid, calcium salt (1:1) (8CI);
EINECS: 243-376-3
Boiling Point: 355.5°C at 760 mmHg
Flash Point: 183°C
PSA: 80.26000
LogP: -2.95760
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Specification

The 2-Butenedioic acid(2E)-, calcium salt (1:1), with the CAS registry number 19855-56-2, is also known as Calcium fumarate (1:1). It belongs to the product category of Nutraceuticals. Its EINECS registry number is 243-376-3. This chemical's molecular formula is C4H4CaO4 and molecular weight is 156.13. Its IUPAC name is called calcium (E)-but-2-enedioic acid.

Physical properties of 2-Butenedioic acid(2E)-, calcium salt (1:1): (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 2; (4)Exact Mass: 155.97355; (5)MonoIsotopic Mass: 155.97355; (6)Topological Polar Surface Area: 74.6; (7)Heavy Atom Count: 9; (8)Formal Charge: 2; (9)Complexity: 119; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 1; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=CC(=O)O)C(=O)O.[Ca+2]
(2)Isomeric SMILES: C(=C/C(=O)O)\C(=O)O.[Ca+2]
(3)InChI: InChI=1S/C4H4O4.Ca/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/b2-1+
(4)InChIKey: HDRTWMBOUSPQON-TYYBGVCCSA-N