2-Cyano-3-(3,4,5-trimethoxyphenyl)propionic Acid - CAS 42864-52-8
Catalog: |
BB025258 |
Product Name: |
2-Cyano-3-(3,4,5-trimethoxyphenyl)propionic Acid |
CAS: |
42864-52-8 |
Synonyms: |
2-cyano-3-(3,4,5-trimethoxyphenyl)propanoic acid; 2-cyano-3-(3,4,5-trimethoxyphenyl)propanoic acid |
IUPAC Name: | 2-cyano-3-(3,4,5-trimethoxyphenyl)propanoic acid |
Description: | 2-Cyano-3-(3,4,5-trimethoxyphenyl)propionic Acid (CAS# 42864-52-8 ) is a useful research chemical. |
Molecular Weight: | 265.26 |
Molecular Formula: | C13H15NO5 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)CC(C#N)C(=O)O |
InChI: | InChI=1S/C13H15NO5/c1-17-10-5-8(4-9(7-14)13(15)16)6-11(18-2)12(10)19-3/h5-6,9H,4H2,1-3H3,(H,15,16) |
InChI Key: | RKQHMXZJCSRJFN-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-4144263-A | Benzyl cyanoacetals | 19760609 |
US-4216319-A | Synthesis of 2,4-diamino-5-benzylpyrimidines using benzyl cyanoacetal intermediates | 19760609 |
YU-313873-A | Process for preparing in position 2 substituted derivat ves of the ethyl ester of 2-(3,4,5-trimethoxybenzyl)-cyano acetic acid | 19731204 |
YU-35436-B | Process for preparing in position 2 substituted derivatives of the thyl ester of 2-(3,4,5-trimethoxy benzyl)-cyanoacetic acid | 19731204 |
US-RE29467-E | Benzylcyano-amides | 19711220 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.09502258 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.09502258 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 88.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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