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89227-90-7 | 2(3H)-Benzoxazolone, 5,7-dimethyl-
CAS No: 89227-90-7 Catalog No: AG0043FZ MDL No:
Product Description
Catalog Number:
AG0043FZ
Chemical Name:
2(3H)-Benzoxazolone, 5,7-dimethyl-
CAS Number:
89227-90-7
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
5,7-dimethyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H9NO2/c1-5-3-6(2)8-7(4-5)10-9(11)12-8/h3-4H,1-2H3,(H,10,11)
InChI Key:
BUNKQSAUICUXLU-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc2c1oc(=O)[nH]2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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