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6967-24-4 | 2-(4-ethoxyphenyl)-5,6,7,8-tetramethoxy-4h-1-benzopyran-4-one
CAS No: 6967-24-4 Catalog No: AG005JFI MDL No:
Product Description
Catalog Number:
AG005JFI
Chemical Name:
2-(4-ethoxyphenyl)-5,6,7,8-tetramethoxy-4h-1-benzopyran-4-one
CAS Number:
6967-24-4
Molecular Formula:
C21H22O7
Molecular Weight:
386.3952
IUPAC Name:
2-(4-ethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
InChI:
InChI=1S/C21H22O7/c1-6-27-13-9-7-12(8-10-13)15-11-14(22)16-17(23-2)19(24-3)21(26-5)20(25-4)18(16)28-15/h7-11H,6H2,1-5H3
InChI Key:
UULUTYMORLDHPL-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC
NSC Number:
68281
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.137g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.4g/mol
Monoisotopic Mass:
386.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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