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145726-16-5 | Naphtho[2,3-c]furan-1(3H)-one, 6,7-dimethoxy-9-(4-methoxyphenyl)-
CAS No: 145726-16-5 Catalog No: AG001DCD MDL No:
Product Description
Catalog Number:
AG001DCD
Chemical Name:
Naphtho[2,3-c]furan-1(3H)-one, 6,7-dimethoxy-9-(4-methoxyphenyl)-
CAS Number:
145726-16-5
Molecular Formula:
C21H18O5
Molecular Weight:
350.3646
IUPAC Name:
6,7-dimethoxy-4-(4-methoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
InChI:
InChI=1S/C21H18O5/c1-23-15-6-4-12(5-7-15)19-16-10-18(25-3)17(24-2)9-13(16)8-14-11-26-21(22)20(14)19/h4-10H,11H2,1-3H3
InChI Key:
QYGNNZYEBCVLRB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c2C(=O)OCc2cc2c1cc(OC)c(c2)OC
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.115g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.37g/mol
Monoisotopic Mass:
350.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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