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54627-93-9 | 5-(1,3-Benzoxazol-2-yl)-2-hydroxypyridine
CAS No: 54627-93-9 Catalog No: AG00DOB8 MDL No:MFCD08444021
Product Description
Catalog Number:
AG00DOB8
Chemical Name:
5-(1,3-Benzoxazol-2-yl)-2-hydroxypyridine
CAS Number:
54627-93-9
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
MDL Number:
MFCD08444021
IUPAC Name:
5-(1,3-benzoxazol-2-yl)-1H-pyridin-2-one
InChI:
InChI=1S/C12H8N2O2/c15-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)16-12/h1-7H,(H,13,15)
InChI Key:
WBFJUDPHTWHSSS-UHFFFAOYSA-N
SMILES:
Oc1ccc(cn1)c1nc2c(o1)cccc2
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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