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Home Other Building Blocks 4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butanoic acid

4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butanoic acid

CAS No.:
14939-93-6
Catalog Number:
AG001LO7
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$82
- +
5g
95%
In Stock USA
United States
$305
- +
Product Description
Catalog Number:
AG001LO7
Chemical Name:
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butanoic acid
CAS Number:
14939-93-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00276566
IUPAC Name:
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
InChI:
InChI=1S/C12H14O4/c13-12(14)3-1-2-9-4-5-10-11(8-9)16-7-6-15-10/h4-5,8H,1-3,6-7H2,(H,13,14)
InChI Key:
ZFCRXHHGVUYVTG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccc2c(c1)OCCO2
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and biological activity of new anti-inflammatory compounds containing the 1,4-benzodioxine and/or pyrrole system. Bioorganic & medicinal chemistry 20070715
Properties