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7048-19-3 | TERT-BUTYL 2-[2-[(4-METHYLPHENYL)METHYLIDENE]-3-OXO-BENZOFURAN-6-YL]OXYACETATE
CAS No: 7048-19-3 Catalog No: AG005IKB MDL No:
Product Description
Catalog Number:
AG005IKB
Chemical Name:
TERT-BUTYL 2-[2-[(4-METHYLPHENYL)METHYLIDENE]-3-OXO-BENZOFURAN-6-YL]OXYACETATE
CAS Number:
7048-19-3
Molecular Formula:
C22H22O5
Molecular Weight:
366.4071
IUPAC Name:
tert-butyl 2-[[2-[(4-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
InChI:
InChI=1S/C22H22O5/c1-14-5-7-15(8-6-14)11-19-21(24)17-10-9-16(12-18(17)26-19)25-13-20(23)27-22(2,3)4/h5-12H,13H2,1-4H3
InChI Key:
SPMIFYPHIJUSMU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)COc1ccc2c(c1)OC(=Cc1ccc(cc1)C)C2=O
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.147g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.413g/mol
Monoisotopic Mass:
366.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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