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10128-99-1 | 2H-1,3-Oxazine-2,4(3H)-dione, 6-methyl-3-(phenylmethyl)-
CAS No: 10128-99-1 Catalog No: AG00045I MDL No:
Product Description
Catalog Number:
AG00045I
Chemical Name:
2H-1,3-Oxazine-2,4(3H)-dione, 6-methyl-3-(phenylmethyl)-
CAS Number:
10128-99-1
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
3-benzyl-6-methyl-1,3-oxazine-2,4-dione
InChI:
InChI=1S/C12H11NO3/c1-9-7-11(14)13(12(15)16-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChI Key:
CJRRSIWORSWNOW-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n(c(=O)o1)Cc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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