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136741-67-8 | 1,2-Benzisoxazol-6-ol, 3-phenyl-
CAS No: 136741-67-8 Catalog No: AG0012AQ MDL No:
Product Description
Catalog Number:
AG0012AQ
Chemical Name:
1,2-Benzisoxazol-6-ol, 3-phenyl-
CAS Number:
136741-67-8
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
IUPAC Name:
3-phenyl-1,2-benzoxazol-6-ol
InChI:
InChI=1S/C13H9NO2/c15-10-6-7-11-12(8-10)16-14-13(11)9-4-2-1-3-5-9/h1-8,15H
InChI Key:
MLYAITJFIYZVHX-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)onc2c1ccccc1
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
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