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14939-93-6 | 1,4-Benzodioxin-6-butanoic acid, 2,3-dihydro-
CAS No: 14939-93-6 Catalog No: AG001LO7 MDL No:MFCD00276566
Product Description
Catalog Number:
AG001LO7
Chemical Name:
1,4-Benzodioxin-6-butanoic acid, 2,3-dihydro-
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 |
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