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113591-60-9 | Thiophene, 2-butyl-5-ethenyl-
CAS No: 113591-60-9 Catalog No: AG00092K MDL No:
Product Description
Catalog Number:
AG00092K
Chemical Name:
Thiophene, 2-butyl-5-ethenyl-
CAS Number:
113591-60-9
Molecular Formula:
C10H14S
Molecular Weight:
166.2832
IUPAC Name:
2-butyl-5-ethenylthiophene
InChI:
InChI=1S/C10H14S/c1-3-5-6-10-8-7-9(4-2)11-10/h4,7-8H,2-3,5-6H2,1H3
InChI Key:
JKFTXICJYSTDFO-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(s1)C=C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.082g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.282g/mol
Monoisotopic Mass:
166.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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