Methyl 3-(2-Chlorophenyl)-3-oxopropionate - CAS 205985-98-4
Catalog: |
BB016091 |
Product Name: |
Methyl 3-(2-Chlorophenyl)-3-oxopropionate |
CAS: |
205985-98-4 |
Synonyms: |
3-(2-chlorophenyl)-3-oxopropanoic acid methyl ester; methyl 3-(2-chlorophenyl)-3-oxopropanoate |
IUPAC Name: | methyl 3-(2-chlorophenyl)-3-oxopropanoate |
Description: | Methyl 3-(2-Chlorophenyl)-3-oxopropionate (CAS# 205985-98-4) is a useful research chemical. |
Molecular Weight: | 212.63 |
Molecular Formula: | C10H9ClO3 |
Canonical SMILES: | COC(=O)CC(=O)C1=CC=CC=C1Cl |
InChI: | InChI=1S/C10H9ClO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3 |
InChI Key: | DMVAIJCMWPNOKV-UHFFFAOYSA-N |
Boiling Point: | 262.6 °C at 760 mmHg |
Density: | 1.255 g/cm3 |
MDL: | MFCD00216528 |
LogP: | 2.08580 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110642837-A | Pyridine amide compound containing triazole or quinolinone structure and application thereof | 20191107 |
EP-3148972-A1 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
EP-3148972-B1 | Pyrazolone derivatives as nitroxyl donors | 20140527 |
TW-201625552-A | Pyrazolone derivative as a nitroxide group | 20140527 |
TW-I659950-B | Pyrazolone derivative as a nitroxide group | 20140527 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0240218 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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