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114361-69-2

114361-69-2 | 2-Propen-1-one, 1,1',1''-(2,3,5-thiophenetriyl)tris- (9CI)

CAS No: 114361-69-2 Catalog No: AG000B5Q MDL No:

Product Description

Catalog Number:
AG000B5Q
Chemical Name:
2-Propen-1-one, 1,1',1''-(2,3,5-thiophenetriyl)tris- (9CI)
CAS Number:
114361-69-2
Molecular Formula:
C13H10O3S
Molecular Weight:
246.2817
IUPAC Name:
1-[4,5-di(prop-2-enoyl)thiophen-2-yl]prop-2-en-1-one
InChI:
InChI=1S/C13H10O3S/c1-4-9(14)8-7-12(10(15)5-2)17-13(8)11(16)6-3/h4-7H,1-3H2
InChI Key:
KJGUCEPYRNDSJQ-UHFFFAOYSA-N
SMILES:
C=CC(=O)c1sc(c(c1)C(=O)C=C)C(=O)C=C

Properties

Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.035g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.28g/mol
Monoisotopic Mass:
246.035g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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