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116337-83-8 | 2H-1,4-Benzoxazin-3(4H)-one, 2,2,4-trimethyl-7-(2-methylene-1-oxobutyl)-
CAS No: 116337-83-8 Catalog No: AG000C96 MDL No:
Product Description
Catalog Number:
AG000C96
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 2,2,4-trimethyl-7-(2-methylene-1-oxobutyl)-
CAS Number:
116337-83-8
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
2,2,4-trimethyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one
InChI:
InChI=1S/C16H19NO3/c1-6-10(2)14(18)11-7-8-12-13(9-11)20-16(3,4)15(19)17(12)5/h7-9H,2,6H2,1,3-5H3
InChI Key:
XLZPUZPNBBONQU-UHFFFAOYSA-N
SMILES:
CCC(=C)C(=O)c1ccc2c(c1)OC(C(=O)N2C)(C)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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