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65685-49-6 | 5-Methylbenzo[d]isoxazol-3(2H)-one
CAS No: 65685-49-6 Catalog No: AG00FHG7 MDL No:
Product Description
Catalog Number:
AG00FHG7
Chemical Name:
5-Methylbenzo[d]isoxazol-3(2H)-one
CAS Number:
65685-49-6
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
5-methyl-1,2-benzoxazol-3-one
InChI:
InChI=1S/C8H7NO2/c1-5-2-3-7-6(4-5)8(10)9-11-7/h2-4H,1H3,(H,9,10)
InChI Key:
OBDYDBSQRSCQMV-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=O)[nH]o2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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