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85533-80-8 | 3-BENZYL-6-CHLORO-2-PYRONE
CAS No: 85533-80-8 Catalog No: AG004USH MDL No:
Product Description
Catalog Number:
AG004USH
Chemical Name:
3-BENZYL-6-CHLORO-2-PYRONE
CAS Number:
85533-80-8
Molecular Formula:
C12H9ClO2
Molecular Weight:
220.6517
IUPAC Name:
3-benzyl-6-chloropyran-2-one
InChI:
InChI=1S/C12H9ClO2/c13-11-7-6-10(12(14)15-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
XHTCTUGLQUCSFJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(=O)o1)Cc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.652g/mol
Monoisotopic Mass:
220.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Ethanol-induced cytotoxicity in rat pancreatic acinar AR42J cells: role of fatty acid ethyl esters. | Alcohol and alcoholism (Oxford, Oxfordshire) 20080101 |
| Mechanism of differential inhibition of hepatic and pancreatic fatty acid ethyl ester synthase by inhibitors of serine-esterases: in vitro and cell culture studies. | Toxicology and applied pharmacology 20041001 |
| Inhibition of pancreatic cholesterol esterase reduces cholesterol absorption in the hamster. | BMC pharmacology 20040101 |
| Cholesterol esterase accelerates intestinal cholesterol absorption. | Biochimica et biophysica acta 20020510 |
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