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170487-35-1 | 1,2-Benzisoxazol-7(4H)-one,5,6-dihydro-3-methyl-(9CI)
CAS No: 170487-35-1 Catalog No: AG00AUU6 MDL No:MFCD24711670
Product Description
Catalog Number:
AG00AUU6
Chemical Name:
1,2-Benzisoxazol-7(4H)-one,5,6-dihydro-3-methyl-(9CI)
CAS Number:
170487-35-1
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD24711670
IUPAC Name:
3-methyl-5,6-dihydro-4H-1,2-benzoxazol-7-one
InChI:
InChI=1S/C8H9NO2/c1-5-6-3-2-4-7(10)8(6)11-9-5/h2-4H2,1H3
InChI Key:
KUCIDTWKVUUAJI-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1onc2C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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