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161600-03-9 | 2,4-Thiazolidinedione, 5-[(6-hydroxy-2-naphthalenyl)methyl]-
CAS No: 161600-03-9 Catalog No: AG001VPN MDL No:
Product Description
Catalog Number:
AG001VPN
Chemical Name:
2,4-Thiazolidinedione, 5-[(6-hydroxy-2-naphthalenyl)methyl]-
CAS Number:
161600-03-9
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
IUPAC Name:
5-[(6-hydroxynaphthalen-2-yl)methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C14H11NO3S/c16-11-4-3-9-5-8(1-2-10(9)7-11)6-12-13(17)15-14(18)19-12/h1-5,7,12,16H,6H2,(H,15,17,18)
InChI Key:
OQKNWSRRDIDCLI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)Cc1ccc2c(c1)ccc(c2)O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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