Home Other Building Blocks 2,1-Benzisoxazole, 5,6-dimethoxy-

2,1-Benzisoxazole, 5,6-dimethoxy-

CAS No.:
148495-00-5
Catalog Number:
AG001KY7
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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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
MDL Number:
MFCD26743453
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  
Properties