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1199-05-9 | 2H-1,3-Benzoxazin-2-one, 3,4-dihydro-6-methyl-
CAS No: 1199-05-9 Catalog No: AG000PU7 MDL No:
Product Description
Catalog Number:
AG000PU7
Chemical Name:
2H-1,3-Benzoxazin-2-one, 3,4-dihydro-6-methyl-
CAS Number:
1199-05-9
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
6-methyl-3,4-dihydro-1,3-benzoxazin-2-one
InChI:
InChI=1S/C9H9NO2/c1-6-2-3-8-7(4-6)5-10-9(11)12-8/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
MMKYXYZMUHIHJF-UHFFFAOYSA-N
SMILES:
O=C1NCc2c(O1)ccc(c2)C
Properties
Complexity:
193
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:
1.4
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