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19949-27-0 | Phenol, 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-methoxy-
CAS No: 19949-27-0 Catalog No: AG002C5Y MDL No:
Product Description
Catalog Number:
AG002C5Y
Chemical Name:
Phenol, 4-(5-amino-1,3,4-oxadiazol-2-yl)-2-methoxy-
CAS Number:
19949-27-0
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
IUPAC Name:
4-(5-amino-1,3,4-oxadiazol-2-yl)-2-methoxyphenol
InChI:
InChI=1S/C9H9N3O3/c1-14-7-4-5(2-3-6(7)13)8-11-12-9(10)15-8/h2-4,13H,1H3,(H2,10,12)
InChI Key:
IJRSUTWWWLFEKO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)c1nnc(o1)N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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