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192514-77-5 | Benzamide, N-(4-butoxy-7-oxo-1,3,5-cycloheptatrien-1-yl)-4-methoxy-
CAS No: 192514-77-5 Catalog No: AG002G18 MDL No:
Product Description
Catalog Number:
AG002G18
Chemical Name:
Benzamide, N-(4-butoxy-7-oxo-1,3,5-cycloheptatrien-1-yl)-4-methoxy-
CAS Number:
192514-77-5
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
IUPAC Name:
N-(4-butoxy-7-oxocyclohepta-1,3,5-trien-1-yl)-4-methoxybenzamide
InChI:
InChI=1S/C19H21NO4/c1-3-4-13-24-16-9-11-17(18(21)12-10-16)20-19(22)14-5-7-15(23-2)8-6-14/h5-12H,3-4,13H2,1-2H3,(H,20,21,22)
InChI Key:
BDKDASKECDVFPJ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(=O)cc1)NC(=O)c1ccc(cc1)OC
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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