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87762-11-6 | 2H-1,4-Benzoxazin-3(4H)-one, 4-butyl-7-(4-methoxybenzoyl)-
CAS No: 87762-11-6 Catalog No: AG004LGN MDL No:
Product Description
Catalog Number:
AG004LGN
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 4-butyl-7-(4-methoxybenzoyl)-
CAS Number:
87762-11-6
Molecular Formula:
C20H21NO4
Molecular Weight:
339.3850
IUPAC Name:
4-butyl-7-(4-methoxybenzoyl)-1,4-benzoxazin-3-one
InChI:
InChI=1S/C20H21NO4/c1-3-4-11-21-17-10-7-15(12-18(17)25-13-19(21)22)20(23)14-5-8-16(24-2)9-6-14/h5-10,12H,3-4,11,13H2,1-2H3
InChI Key:
OHVWDAOUSSEKIZ-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)COc2c1ccc(c2)C(=O)c1ccc(cc1)OC
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.391g/mol
Monoisotopic Mass:
339.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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