Sodium (E)-1-Cyano-3-ethoxy-3-oxo-1-propen-2-olate - CAS 627076-29-3
Catalog: |
BB031749 |
Product Name: |
Sodium (E)-1-Cyano-3-ethoxy-3-oxo-1-propen-2-olate |
CAS: |
627076-29-3 |
Synonyms: |
sodium;(Z)-1-cyano-3-ethoxy-3-oxo-1-propen-2-olate; sodium;(Z)-1-cyano-3-ethoxy-3-oxoprop-1-en-2-olate |
Description: | Sodium (E)-1-Cyano-3-ethoxy-3-oxo-1-propen-2-olate (CAS# 627076-29-3) is a useful research chemical. |
Molecular Weight: | 163.11 |
Molecular Formula: | C6H6NO3Na |
Canonical SMILES: | CCOC(=O)C(=CC#N)[O-].[Na+] |
InChI: | InChI=1S/C6H7NO3.Na/c1-2-10-6(9)5(8)3-4-7;/h3,8H,2H2,1H3;/q;+1/p-1/b5-3-; |
InChI Key: | UJIPHZNUWCAKEM-FBZPGIPVSA-M |
LogP: | 0.38748 |
Publication Number | Title | Priority Date |
EP-1785418-A1 | Pyrazole derivative | 20040806 |
US-2007254881-A1 | Pyrazole Derivative | 20040806 |
US-2005256113-A1 | Anti-cytokine heterocyclic compounds | 20040512 |
US-7485657-B2 | Anti-cytokine heterocyclic compounds | 20040512 |
EP-1698626-A1 | Amidopyrazole derivative | 20031226 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 164.03236237 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.03236237 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS