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7025-17-4 | 3-[4-OXO-5-(3-PHENYL-ALLYLIDENE)-2-THIOXO-THIAZOLIDIN-3-YL]-PROPIONIC ACID
CAS No: 7025-17-4 Catalog No: AG00FTMJ MDL No:MFCD00749736
Product Description
Catalog Number:
AG00FTMJ
Chemical Name:
3-[4-OXO-5-(3-PHENYL-ALLYLIDENE)-2-THIOXO-THIAZOLIDIN-3-YL]-PROPIONIC ACID
CAS Number:
7025-17-4
Molecular Formula:
C15H13NO3S2
Molecular Weight:
319.3986
MDL Number:
MFCD00749736
IUPAC Name:
3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
InChI:
InChI=1S/C15H13NO3S2/c17-13(18)9-10-16-14(19)12(21-15(16)20)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,18)
InChI Key:
FCFWOZQHXOJVMA-UHFFFAOYSA-N
SMILES:
OC(=O)CCN1C(=S)S/C(=C/C=C/c2ccccc2)/C1=O
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.393g/mol
Monoisotopic Mass:
319.034g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.1
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