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100792-01-6 | 2H-1,3-Oxazin-2-one, tetrahydro-5-methyl-
CAS No: 100792-01-6 Catalog No: AG0002WE MDL No:
Product Description
Catalog Number:
AG0002WE
Chemical Name:
2H-1,3-Oxazin-2-one, tetrahydro-5-methyl-
CAS Number:
100792-01-6
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
IUPAC Name:
5-methyl-1,3-oxazinan-2-one
InChI:
InChI=1S/C5H9NO2/c1-4-2-6-5(7)8-3-4/h4H,2-3H2,1H3,(H,6,7)
InChI Key:
LELZSUDFAAFITO-UHFFFAOYSA-N
SMILES:
CC1CNC(=O)OC1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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