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116496-30-1 | 2-phenylbenzo[d]oxazol-6-ol
CAS No: 116496-30-1 Catalog No: AG009UXX MDL No:MFCD00448639
Product Description
Catalog Number:
AG009UXX
Chemical Name:
2-phenylbenzo[d]oxazol-6-ol
CAS Number:
116496-30-1
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
MDL Number:
MFCD00448639
IUPAC Name:
2-phenyl-1,3-benzoxazol-6-ol
InChI:
InChI=1S/C13H9NO2/c15-10-6-7-11-12(8-10)16-13(14-11)9-4-2-1-3-5-9/h1-8,15H
InChI Key:
ZLLPKNHSQPLRRJ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(n2)c1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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