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77280-68-3 | 4-Thiazolebutanenitrile,g-oxo-
CAS No: 77280-68-3 Catalog No: AG005O6L MDL No:
Product Description
Catalog Number:
AG005O6L
Chemical Name:
4-Thiazolebutanenitrile,g-oxo-
CAS Number:
77280-68-3
Molecular Formula:
C7H6N2OS
Molecular Weight:
166.2003
IUPAC Name:
4-oxo-4-(1,3-thiazol-4-yl)butanenitrile
InChI:
InChI=1S/C7H6N2OS/c8-3-1-2-7(10)6-4-11-5-9-6/h4-5H,1-2H2
InChI Key:
ZDZHNYPJWSHHHT-UHFFFAOYSA-N
SMILES:
C(C(=O)c1cscn1)CC#N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.198g/mol
Monoisotopic Mass:
166.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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