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100211-04-9 | 4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-3-(2-methoxyphenyl)-
CAS No: 100211-04-9 Catalog No: AG00019F MDL No:
Product Description
Catalog Number:
AG00019F
Chemical Name:
4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-3-(2-methoxyphenyl)-
CAS Number:
100211-04-9
Molecular Formula:
C19H18O6
Molecular Weight:
342.3426
IUPAC Name:
5,6,7-trimethoxy-3-(2-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C19H18O6/c1-21-13-8-6-5-7-11(13)12-10-25-14-9-15(22-2)18(23-3)19(24-4)16(14)17(12)20/h5-10H,1-4H3
InChI Key:
LMYDKXXEPYRDDD-UHFFFAOYSA-N
SMILES:
COc1cc2occ(c(=O)c2c(c1OC)OC)c1ccccc1OC
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.347g/mol
Monoisotopic Mass:
342.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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