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1268335-33-6 | 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoic acid
CAS No: 1268335-33-6 Catalog No: AG01BFL1 MDL No:MFCD22393432
Product Description
Catalog Number:
AG01BFL1
Chemical Name:
3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoic acid
CAS Number:
1268335-33-6
Molecular Formula:
C10H11BO4
Molecular Weight:
206.0029
MDL Number:
MFCD22393432
IUPAC Name:
3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid
InChI:
InChI=1S/C10H11BO4/c12-9(13)5-4-7-2-1-3-8-6-15-11(14)10(7)8/h1-3,14H,4-6H2,(H,12,13)
InChI Key:
CEVOKIPNIZQANN-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc2c1B(O)OC2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.004g/mol
Monoisotopic Mass:
206.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Cell-based medicinal chemistry optimization of high throughput screening hits for orally active antimalarials. Part 2: hits from SoftFocus kinase and other libraries. | Journal of medicinal chemistry 20131024 |
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