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1221723-16-5 | 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile
CAS No: 1221723-16-5 Catalog No: AG01A7TO MDL No:MFCD14705819
Product Description
Catalog Number:
AG01A7TO
Chemical Name:
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile
CAS Number:
1221723-16-5
Molecular Formula:
C11H8N2O2S
Molecular Weight:
232.2584
MDL Number:
MFCD14705819
IUPAC Name:
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile
InChI:
InChI=1S/C11H8N2O2S/c12-5-8-2-1-3-9(4-8)6-13-10(14)7-16-11(13)15/h1-4H,6-7H2
InChI Key:
WKBNKRHXUBMWPG-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CN1C(=O)CSC1=O
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.257g/mol
Monoisotopic Mass:
232.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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