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89690-04-0 | 2-Thiophenecarbonitrile, 2,3-dihydro-
CAS No: 89690-04-0 Catalog No: AG0042XC MDL No:
Product Description
Catalog Number:
AG0042XC
Chemical Name:
2-Thiophenecarbonitrile, 2,3-dihydro-
CAS Number:
89690-04-0
Molecular Formula:
C5H5NS
Molecular Weight:
111.1649
IUPAC Name:
2,3-dihydrothiophene-2-carbonitrile
InChI:
InChI=1S/C5H5NS/c6-4-5-2-1-3-7-5/h1,3,5H,2H2
InChI Key:
LULUYJCTPQSGFD-UHFFFAOYSA-N
SMILES:
N#CC1CC=CS1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.162g/mol
Monoisotopic Mass:
111.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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