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Cas Database |
| Name |
Acetic acid,2-cyano-2-(1,3-dioxolan-2-ylidene)-, ethyl ester |
EINECS | N/A |
| CAS No. | 121020-70-0 | Density | 1.284 g/cm3 |
| PSA | 68.55000 | LogP | 0.33148 |
| Solubility | N/A | Melting Point |
139-140 °C |
| Formula | C8H9NO4 | Boiling Point | 256.3 °C at 760 mmHg |
| Molecular Weight | 183.164 | Flash Point | 108.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aceticacid, cyano-1,3-dioxolan-2-ylidene-, ethyl ester (9CI); |
Article Data | 2 |
Acetic acid,2-cyano-2-(1,3-dioxolan-2-ylidene)-, ethyl ester Specification
The Acetic acid,2-cyano-2-(1,3-dioxolan-2-ylidene)-, ethyl ester, also known as AC1MCD2N, is the organic compound with the formula C8H9NO4. With the CAS registry number 121020-70-0, its IUPAC name is ethyl 2-cyano-2-(1,3-dioxolan-2-ylidene)acetate.
Physical properties of Acetic acid,2-cyano-2-(1,3-dioxolan-2-ylidene)-, ethyl ester: (1)XLogP3-AA: 0.6; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 5; (4)Rotatable Bond Count: 3; (5)Exact Mass: 183.053158; (6)MonoIsotopic Mass: 183.053158; (7)Topological Polar Surface Area: 68.6; (8)Heavy Atom Count: 13; (9)Formal Charge: 0; (10)Complexity: 278; (11)Isotope Atom Count: 0; (12)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(=C1OCCO1)C#N
(2)InChI: InChI=1S/C8H9NO4/c1-2-11-7(10)6(5-9)8-12-3-4-13-8/h2-4H2,1H3
(3)InChIKey: UNOJLHONQPUKAQ-UHFFFAOYSA-N
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