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23786-14-3

23786-14-3 | Methyl 2-(4-methoxyphenyl);acetate

CAS No: 23786-14-3 Catalog No: AG003RVU MDL No:MFCD00008454

Product Description

Catalog Number:
AG003RVU
Chemical Name:
Methyl 2-(4-methoxyphenyl);acetate
CAS Number:
23786-14-3
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00008454
IUPAC Name:
methyl 2-(4-methoxyphenyl)acetate
InChI:
InChI=1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3
InChI Key:
ZQYLDVNTWDEAJI-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1)OC
EC Number:
245-886-1

Properties

Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
Design and synthesis of 4-methoxyphenylacetic acid esters as 15-lipoxygenase inhibitors and SAR comparative studies of them. Bioorganic & medicinal chemistry 20090315

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