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144553-51-5 | 4H-1-Benzopyran-4-one, 2-[(4-hydroxyphenyl)thio]-5,6,7-trimethoxy-
CAS No: 144553-51-5 Catalog No: AG001JQM MDL No:
Product Description
Catalog Number:
AG001JQM
Chemical Name:
4H-1-Benzopyran-4-one, 2-[(4-hydroxyphenyl)thio]-5,6,7-trimethoxy-
CAS Number:
144553-51-5
Molecular Formula:
C18H16O6S
Molecular Weight:
360.3810
IUPAC Name:
2-(4-hydroxyphenyl)sulfanyl-5,6,7-trimethoxychromen-4-one
InChI:
InChI=1S/C18H16O6S/c1-21-14-9-13-16(18(23-3)17(14)22-2)12(20)8-15(24-13)25-11-6-4-10(19)5-7-11/h4-9,19H,1-3H3
InChI Key:
BOOQCRLDYIKPNJ-UHFFFAOYSA-N
SMILES:
COc1cc2oc(Sc3ccc(cc3)O)cc(=O)c2c(c1OC)OC
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.067g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.38g/mol
Monoisotopic Mass:
360.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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