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7025-18-5 | 3-[(5Z)-5-(4-HYDROXY-3-METHOXYBENZYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID
CAS No: 7025-18-5 Catalog No: AG00FE0F MDL No:MFCD00585051
Product Description
Catalog Number:
AG00FE0F
Chemical Name:
3-[(5Z)-5-(4-HYDROXY-3-METHOXYBENZYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID
CAS Number:
7025-18-5
Molecular Formula:
C14H13NO5S2
Molecular Weight:
339.3867
MDL Number:
MFCD00585051
IUPAC Name:
3-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
InChI:
InChI=1S/C14H13NO5S2/c1-20-10-6-8(2-3-9(10)16)7-11-13(19)15(14(21)22-11)5-4-12(17)18/h2-3,6-7,16H,4-5H2,1H3,(H,17,18)
InChI Key:
QDLPDGYOWIZQAQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C=C1SC(=S)N(C1=O)CCC(=O)O
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.024g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.38g/mol
Monoisotopic Mass:
339.024g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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