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828246-24-8 | 2H-1,4-Benzoxazin-2-one, 5-methoxy-3-methyl-
CAS No: 828246-24-8 Catalog No: AG004XOT MDL No:
Product Description
Catalog Number:
AG004XOT
Chemical Name:
2H-1,4-Benzoxazin-2-one, 5-methoxy-3-methyl-
CAS Number:
828246-24-8
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
5-methoxy-3-methyl-1,4-benzoxazin-2-one
InChI:
InChI=1S/C10H9NO3/c1-6-10(12)14-8-5-3-4-7(13-2)9(8)11-6/h3-5H,1-2H3
InChI Key:
JGFWNBQMABZEGG-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(C)c(=O)o2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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