2-[N-(D-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt - CAS 1262750-76-4
Catalog: |
BB076530 |
Product Name: |
2-[N-(D-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt |
CAS: |
1262750-76-4 |
Synonyms: |
(E)-Ethyl 2-[N-(D-(-)-Phenylglycine)]but-2-enoate Potassium Salt; 2-[N-(D-(-)-Phenylglycine) Ethyl trans-Crotonate Potassium Salt; , (αR)-α-[[(1E)-3-Ethoxy-1-methyl-3-oxo-1-propen-1-yl]amino]benzeneacetic Acid Potassium Salt |
IUPAC Name: | potassium(2R)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetate |
Description: | Intermediate in the preparation of Cephalexin. |
Molecular Weight: | 301.38 |
Molecular Formula: | C14H16KNO4 |
Canonical SMILES: | CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)[O-].[K+] |
InChI: | InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11/h4-9,13,15H,3H2,1-2H3,(H,17,18)/q+1/p-1/b10-9+/t13-/m1./s1 |
InChI Key: | QMWWAEFYIXXXQW-VMEHJNRZSA-M |
Solubility: | Dichloromethane |
Appearance: | Light Yellow Solid |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 301.07163948 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.07163948 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 78.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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