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200631-89-6 | Benzonitrile, 4-[2-(2,4-dioxo-5-thiazolidinyl)ethoxy]-
CAS No: 200631-89-6 Catalog No: AG002CVY MDL No:
Product Description
Catalog Number:
AG002CVY
Chemical Name:
Benzonitrile, 4-[2-(2,4-dioxo-5-thiazolidinyl)ethoxy]-
CAS Number:
200631-89-6
Molecular Formula:
C12H10N2O3S
Molecular Weight:
262.2844
IUPAC Name:
4-[2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethoxy]benzonitrile
InChI:
InChI=1S/C12H10N2O3S/c13-7-8-1-3-9(4-2-8)17-6-5-10-11(15)14-12(16)18-10/h1-4,10H,5-6H2,(H,14,15,16)
InChI Key:
LGSOKZOQANLOEU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCCC1SC(=O)NC1=O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.283g/mol
Monoisotopic Mass:
262.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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