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148495-00-5 | 2,1-Benzisoxazole, 5,6-dimethoxy-
CAS No: 148495-00-5 Catalog No: AG001KY7 MDL No:
Product Description
Catalog Number:
AG001KY7
Chemical Name:
2,1-Benzisoxazole, 5,6-dimethoxy-
CAS Number:
148495-00-5
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
5,6-dimethoxy-2,1-benzoxazole
InChI:
InChI=1S/C9H9NO3/c1-11-8-3-6-5-13-10-7(6)4-9(8)12-2/h3-5H,1-2H3
InChI Key:
GITAZHWZEPVKAC-UHFFFAOYSA-N
SMILES:
COc1cc2nocc2cc1OC
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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