Methyl 3-(3-Pyridyl)propanoate - CAS 84199-98-4
Catalog: |
BB037149 |
Product Name: |
Methyl 3-(3-Pyridyl)propanoate |
CAS: |
84199-98-4 |
Synonyms: |
3-(3-pyridinyl)propanoic acid methyl ester; methyl 3-pyridin-3-ylpropanoate |
IUPAC Name: | methyl 3-pyridin-3-ylpropanoate |
Description: | Methyl 3-(3-Pyridyl)propanoate (CAS# 84199-98-4) is a useful research chemical. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | COC(=O)CCC1=CN=CC=C1 |
InChI: | InChI=1S/C9H11NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,4-5H2,1H3 |
InChI Key: | FQRRQPZYIYAPAV-UHFFFAOYSA-N |
Boiling Point: | 134 °C / 12 mmHg |
Density: | 1.086 g/cm3 |
MDL: | MFCD01075660 |
LogP: | 1.18720 |
GHS Hazard Statement: | H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021204857-A1 | Microbiocidal quinoline dihydro-(thiazine)oxazine derivatives | 20200408 |
TW-201639843-A | KV1.3 inhibitor and its medical application | 20150313 |
TW-201639857-A | KV1.3 inhibitor and its medical application | 20150313 |
TW-I698438-B | Kv1.3 inhibitors and their medical application | 20150313 |
TW-I701249-B | Kv1.3 inhibitors and their medical application | 20150313 |
Complexity: | 148 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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