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199167-77-6

199167-77-6 | Benzoic acid, 4-[(2,4-dioxo-5-thiazolidinylidene)methyl]-, methyl ester

CAS No: 199167-77-6 Catalog No: AG002BX5 MDL No:

Product Description

Catalog Number:
AG002BX5
Chemical Name:
Benzoic acid, 4-[(2,4-dioxo-5-thiazolidinylidene)methyl]-, methyl ester
CAS Number:
199167-77-6
Molecular Formula:
C12H9NO4S
Molecular Weight:
263.2692
IUPAC Name:
methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
InChI:
InChI=1S/C12H9NO4S/c1-17-11(15)8-4-2-7(3-5-8)6-9-10(14)13-12(16)18-9/h2-6H,1H3,(H,13,14,16)
InChI Key:
VVYFDUGNDSIVAM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C=C1SC(=O)NC1=O

Properties

Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.025g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.267g/mol
Monoisotopic Mass:
263.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2  

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