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115417-53-3 | Thiophene, 3-butoxy-
CAS No: 115417-53-3 Catalog No: AG000FZ3 MDL No:
Product Description
Catalog Number:
AG000FZ3
Chemical Name:
Thiophene, 3-butoxy-
CAS Number:
115417-53-3
Molecular Formula:
C8H12OS
Molecular Weight:
156.2453
IUPAC Name:
3-butoxythiophene
InChI:
InChI=1S/C8H12OS/c1-2-3-5-9-8-4-6-10-7-8/h4,6-7H,2-3,5H2,1H3
InChI Key:
NZSSXTMHSXMZBL-UHFFFAOYSA-N
SMILES:
CCCCOc1cscc1
Properties
Complexity:
85.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.243g/mol
Monoisotopic Mass:
156.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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