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1138-14-3

1138-14-3 | 1,3-Propanedione, 1,3-di-2-thienyl-

CAS No: 1138-14-3 Catalog No: AG0009PP MDL No:

Product Description

Catalog Number:
AG0009PP
Chemical Name:
1,3-Propanedione, 1,3-di-2-thienyl-
CAS Number:
1138-14-3
Molecular Formula:
C11H8O2S2
Molecular Weight:
236.3100
IUPAC Name:
1,3-dithiophen-2-ylpropane-1,3-dione
InChI:
InChI=1S/C11H8O2S2/c12-8(10-3-1-5-14-10)7-9(13)11-4-2-6-15-11/h1-6H,7H2
InChI Key:
RYEKDXOACFEXKG-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)CC(=O)c1cccs1
NSC Number:
80415

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.997g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.303g/mol
Monoisotopic Mass:
235.997g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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