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1195552-73-8 | 1,2-Benzisoxazol-3(2H)-one, 4-methyl-
CAS No: 1195552-73-8 Catalog No: AG000IY1 MDL No:MFCD24040276
Product Description
Catalog Number:
AG000IY1
Chemical Name:
1,2-Benzisoxazol-3(2H)-one, 4-methyl-
CAS Number:
1195552-73-8
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD24040276
IUPAC Name:
4-methyl-1,2-benzoxazol-3-one
InChI:
InChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)8(10)9-11-6/h2-4H,1H3,(H,9,10)
InChI Key:
UGACBUZJRUUUFQ-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1c(=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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