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79525-08-9 | 5-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CAS No: 79525-08-9 Catalog No: AG00IP78 MDL No:MFCD04124246
Product Description
Catalog Number:
AG00IP78
Chemical Name:
5-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CAS Number:
79525-08-9
Molecular Formula:
C11H11NO4S
Molecular Weight:
253.2743
MDL Number:
MFCD04124246
IUPAC Name:
5-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C11H11NO4S/c1-16-7-4-2-3-6(9(7)13)5-8-10(14)12-11(15)17-8/h2-4,8,13H,5H2,1H3,(H,12,14,15)
InChI Key:
NEGMWQHKFXMFMK-UHFFFAOYSA-N
SMILES:
COc1cccc(c1O)CC1SC(=O)NC1=O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.272g/mol
Monoisotopic Mass:
253.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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