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138948-70-6 | 4H-1-Benzopyran-4-one, 3-(3,4-diethoxyphenyl)-7-hydroxy-
CAS No: 138948-70-6 Catalog No: AG0019WV MDL No:
Product Description
Catalog Number:
AG0019WV
Chemical Name:
4H-1-Benzopyran-4-one, 3-(3,4-diethoxyphenyl)-7-hydroxy-
CAS Number:
138948-70-6
Molecular Formula:
C19H18O5
Molecular Weight:
326.3432
IUPAC Name:
3-(3,4-diethoxyphenyl)-7-hydroxychromen-4-one
InChI:
InChI=1S/C19H18O5/c1-3-22-16-8-5-12(9-18(16)23-4-2)15-11-24-17-10-13(20)6-7-14(17)19(15)21/h5-11,20H,3-4H2,1-2H3
InChI Key:
RRSVQCODFUUTGW-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)c1coc2c(c1=O)ccc(c2)O
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.348g/mol
Monoisotopic Mass:
326.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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