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117205-69-3 | 3-Butyn-1-ol, 4,4'-[2,2'-bithiophene]-5,5'-diylbis- (9CI)
CAS No: 117205-69-3 Catalog No: AG000DXM MDL No:
Product Description
Catalog Number:
AG000DXM
Chemical Name:
3-Butyn-1-ol, 4,4'-[2,2'-bithiophene]-5,5'-diylbis- (9CI)
CAS Number:
117205-69-3
Molecular Formula:
C16H14O2S2
Molecular Weight:
302.4112
IUPAC Name:
4-[5-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]thiophen-2-yl]but-3-yn-1-ol
InChI:
InChI=1S/C16H14O2S2/c17-11-3-1-5-13-7-9-15(19-13)16-10-8-14(20-16)6-2-4-12-18/h7-10,17-18H,3-4,11-12H2
InChI Key:
UTYQUJSIWTUNII-UHFFFAOYSA-N
SMILES:
OCCC#Cc1ccc(s1)c1ccc(s1)C#CCCO
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.406g/mol
Monoisotopic Mass:
302.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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