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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid

CAS No.:
193885-36-8
Catalog Number:
AG01AA9A
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
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Product Description
Catalog Number:
AG01AA9A
Chemical Name:
2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CAS Number:
193885-36-8
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD11590415
IUPAC Name:
2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
InChI:
InChI=1S/C11H12O4/c1-7(11(12)13)8-2-3-9-10(6-8)15-5-4-14-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChI Key:
REEHPTZXDPTHNZ-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc2c(c1)OCCO2)C
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
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