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CAS No.: | 121020-70-0 |
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Name: | ETHYL 2-CYANO-2-(1,3-DIOXOLAN-2-YLIDEN)ACETATE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H9NO4 |
Molecular Weight: | 183.164 |
Synonyms: | Aceticacid, cyano-1,3-dioxolan-2-ylidene-, ethyl ester (9CI); |
Density: | 1.284 g/cm3 |
Melting Point: | 139-140 °C |
Boiling Point: | 256.3 °C at 760 mmHg |
Flash Point: | 108.8 °C |
PSA: | 68.55000 |
LogP: | 0.33148 |
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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