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Cas Database |
| Name |
2-Butenedioic acid(2E)-, calcium salt (1:1) |
EINECS | 243-376-3 |
| CAS No. | 19855-56-2 | Density | N/A |
| PSA | 80.26000 | LogP | -2.95760 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H4CaO4 | Boiling Point | 355.5°C at 760 mmHg |
| Molecular Weight | 154.135 | Flash Point | 183°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Butenedioicacid (E)-, calcium salt (1:1);Fumaric acid, calcium salt (1:1) (8CI); |
Article Data | 4 |
2-Butenedioic acid(2E)-, calcium salt (1:1) 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
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