Methyl 3-(4-Pyridyl)propanoate - CAS 90610-07-4
Catalog: |
BB039907 |
Product Name: |
Methyl 3-(4-Pyridyl)propanoate |
CAS: |
90610-07-4 |
Synonyms: |
3-pyridin-4-ylpropanoic acid methyl ester; methyl 3-pyridin-4-ylpropanoate |
IUPAC Name: | methyl 3-pyridin-4-ylpropanoate |
Description: | Methyl 3-(4-Pyridyl)propanoate (CAS# 90610-07-4 ) is a useful research chemical. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | COC(=O)CCC1=CC=NC=C1 |
InChI: | InChI=1S/C9H11NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h4-7H,2-3H2,1H3 |
InChI Key: | JAIXBISQDJNKFO-UHFFFAOYSA-N |
Boiling Point: | 254.9 ℃ at 760 mmHg |
Density: | 1.086 g/cm3 |
LogP: | 1.18720 |
Publication Number | Title | Priority Date |
TW-202045009-A | Herbicidal compounds | 20190206 |
EP-3299371-A1 | Hydroxyl purine compounds and use thereof | 20150520 |
TW-201706268-A | Hydroxyl purine compound and application thereof | 20150520 |
US-10278973-B2 | Hydroxyl purine compounds and use thereof | 20150520 |
US-2018140607-A1 | Hydroxyl purine compounds and use thereof | 20150520 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.078978594 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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