2-Cyclopropylcarbonyl-3-dimethylaminoacrylic Acid Methyl Ester - CAS 340774-26-7
Catalog: |
BB068986 |
Product Name: |
2-Cyclopropylcarbonyl-3-dimethylaminoacrylic Acid Methyl Ester |
CAS: |
340774-26-7 |
Synonyms: |
α-[(Dimethylamino)methylene]-β-oxo-cyclopropanepropanoic Acid Methyl Ester;Methyl 2-(Cyclopropylcarbonyl)-3-(dimethylamino)acrylate; Methyl 2-(Cyclopropylcarbonyl)-3-(dimethylamino)prop-2-enoate |
IUPAC Name: | methyl (E)-2-(cyclopropanecarbonyl)-3-(dimethylamino)prop-2-enoate |
Description: | 2-Cyclopropylcarbonyl-3-dimethylaminoacrylic Acid Methyl Ester is an intermediate in the preparation of soluble guanylyl cyclase activators. |
Molecular Weight: | 197.23 |
Molecular Formula: | C10H15NO3 |
Canonical SMILES: | CN(C)C=C(C(=O)C1CC1)C(=O)OC |
InChI: | InChI=1S/C10H15NO3/c1-11(2)6-8(10(13)14-3)9(12)7-4-5-7/h6-7H,4-5H2,1-3H3/b8-6+ |
InChI Key: | YPMSJMWJBYITQW-SOFGYWHQSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | Yellow Liquid |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 197.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.10519334 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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