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136272-75-8 | 2-((2-Oxothiazolidin-3-Yl)Methyl)Benzonitrile
CAS No: 136272-75-8 Catalog No: AG01DK5Y MDL No:MFCD00903838
Product Description
Catalog Number:
AG01DK5Y
Chemical Name:
2-((2-Oxothiazolidin-3-Yl)Methyl)Benzonitrile
CAS Number:
136272-75-8
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
MDL Number:
MFCD00903838
IUPAC Name:
2-[(2-oxo-1,3-thiazolidin-3-yl)methyl]benzonitrile
InChI:
InChI=1S/C11H10N2OS/c12-7-9-3-1-2-4-10(9)8-13-5-6-15-11(13)14/h1-4H,5-6,8H2
InChI Key:
ALOUVMZNWQQAEW-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN1CCSC1=O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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