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14939-92-5 | 1,4-Benzodioxin-6-propanoic acid, 2,3-dihydro-
CAS No: 14939-92-5 Catalog No: AG001LO8 MDL No:MFCD06823843
Product Description
Catalog Number:
AG001LO8
Chemical Name:
1,4-Benzodioxin-6-propanoic acid, 2,3-dihydro-
CAS Number:
14939-92-5
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD06823843
IUPAC Name:
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
InChI:
InChI=1S/C11H12O4/c12-11(13)4-2-8-1-3-9-10(7-8)15-6-5-14-9/h1,3,7H,2,4-6H2,(H,12,13)
InChI Key:
JYAJUMPCPQRKKU-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc2c(c1)OCCO2
Properties
Complexity:
229
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:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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