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116337-82-7 | 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-
CAS No: 116337-82-7 Catalog No: AG000C97 MDL No:
Product Description
Catalog Number:
AG000C97
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-
CAS Number:
116337-82-7
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
2,4-dimethyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one
InChI:
InChI=1S/C15H17NO3/c1-5-9(2)14(17)11-6-7-12-13(8-11)19-10(3)15(18)16(12)4/h6-8,10H,2,5H2,1,3-4H3
InChI Key:
KSQWAFPOZRQKCX-UHFFFAOYSA-N
SMILES:
CCC(=C)C(=O)c1ccc2c(c1)OC(C(=O)N2C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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