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1245643-73-5 | 3-Thiophenecarbonitrile, 5-cyclopropyl-
CAS No: 1245643-73-5 Catalog No: AG000M9A MDL No:
Product Description
Catalog Number:
AG000M9A
Chemical Name:
3-Thiophenecarbonitrile, 5-cyclopropyl-
CAS Number:
1245643-73-5
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
IUPAC Name:
5-cyclopropylthiophene-3-carbonitrile
InChI:
InChI=1S/C8H7NS/c9-4-6-3-8(10-5-6)7-1-2-7/h3,5,7H,1-2H2
InChI Key:
HRYIHVSSBLATOZ-UHFFFAOYSA-N
SMILES:
N#Cc1csc(c1)C1CC1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.211g/mol
Monoisotopic Mass:
149.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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