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850583-75-4

850583-75-4 | 3,6-Di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

CAS No: 850583-75-4 Catalog No: AG0033JV MDL No:MFCD20257907

Product Description

Catalog Number:
AG0033JV
Chemical Name:
3,6-Di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
CAS Number:
850583-75-4
Molecular Formula:
C14H8N2O2S2
Molecular Weight:
300.3555
MDL Number:
MFCD20257907
IUPAC Name:
3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one
InChI:
InChI=1S/C14H8N2O2S2/c17-13-9-10(12(16-13)8-4-2-6-20-8)14(18)15-11(9)7-3-1-5-19-7/h1-6,15,18H
InChI Key:
ZLIGHMSLZXFKKF-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(c2c1c([nH]c2=O)c1cccs1)c1cccs1

Properties

Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.003g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
300.35g/mol
Monoisotopic Mass:
300.003g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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