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5776-96-5 | [5-(1-Benzofuran-2-yl)isoxazol-3-yl]methanol
CAS No: 5776-96-5 Catalog No: AG01ARNM MDL No:MFCD11986427
Product Description
Catalog Number:
AG01ARNM
Chemical Name:
[5-(1-Benzofuran-2-yl)isoxazol-3-yl]methanol
CAS Number:
5776-96-5
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD11986427
IUPAC Name:
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methanol
InChI:
InChI=1S/C12H9NO3/c14-7-9-6-12(16-13-9)11-5-8-3-1-2-4-10(8)15-11/h1-6,14H,7H2
InChI Key:
JSULBSNOBUKNND-UHFFFAOYSA-N
SMILES:
OCc1noc(c1)c1cc2c(o1)cccc2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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