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162152-28-5 | 3-Thiopheneundecanol
CAS No: 162152-28-5 Catalog No: AG001STP MDL No:
Product Description
Catalog Number:
AG001STP
Chemical Name:
3-Thiopheneundecanol
CAS Number:
162152-28-5
Molecular Formula:
C15H26OS
Molecular Weight:
254.4313
IUPAC Name:
11-thiophen-3-ylundecan-1-ol
InChI:
InChI=1S/C15H26OS/c16-12-9-7-5-3-1-2-4-6-8-10-15-11-13-17-14-15/h11,13-14,16H,1-10,12H2
InChI Key:
AJPLOCYCAUFFFR-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCc1ccsc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.17g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.432g/mol
Monoisotopic Mass:
254.17g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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