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21744-84-3 | 4-Methyl-2H-1,4-Benzoxazin-3-one
CAS No: 21744-84-3 Catalog No: AG003LQ1 MDL No:MFCD00601365
Product Description
Catalog Number:
AG003LQ1
Chemical Name:
4-Methyl-2H-1,4-Benzoxazin-3-one
CAS Number:
21744-84-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00601365
IUPAC Name:
4-methyl-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H9NO2/c1-10-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3
InChI Key:
DBJMEBUKQVZWMD-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1C)cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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