2-Cyano-3-(1-naphthyl)propionic Acid - CAS 132413-84-4
Catalog: |
BB007584 |
Product Name: |
2-Cyano-3-(1-naphthyl)propionic Acid |
CAS: |
132413-84-4 |
Synonyms: |
2-cyano-3-(1-naphthalenyl)propanoic acid; 2-cyano-3-naphthalen-1-ylpropanoic acid |
IUPAC Name: | 2-cyano-3-naphthalen-1-ylpropanoic acid |
Description: | 2-Cyano-3-(1-naphthyl)propionic Acid (CAS# 132413-84-4 ) is a useful research chemical. |
Molecular Weight: | 225.24 |
Molecular Formula: | C14H11NO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC=C2CC(C#N)C(=O)O |
InChI: | InChI=1S/C14H11NO2/c15-9-12(14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8H2,(H,16,17) |
InChI Key: | NUSBDSQULWMBEU-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2004236216-A1 | 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor ligands | 20030430 |
CA-2523235-A1 | 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor ligands | 20030430 |
CN-1812790-A | 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor | 20030430 |
EP-1620102-A2 | 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor ligands | 20030430 |
EP-1620102-B1 | 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor ligands | 20030430 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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