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Benzo[1,2-b:3,4-b':5,6-b'']trithiophene-2,5,8-tricarboxylic acid

Catalog Number
ACM1174223256-1
Product Name
Benzo[1,2-b:3,4-b':5,6-b'']trithiophene-2,5,8-tricarboxylic acid
CAS
1174223-25-6
Category
Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand
IUPAC Name
3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene-4,9,14-tricarboxylic acid
Molecular Weight
378.4g/mol
Molecular Formula
C15H6O6S3
InChI
InChI=1S/C15H6O6S3/c16-13(17)7-1-4-10(22-7)5-2-9(15(20)21)24-12(5)6-3-8(14(18)19)23-11(4)6/h1-3H,(H,16,17)(H,18,19)(H,20,21)
InChI Key
NZKKLAALKJGLDC-UHFFFAOYSA-N
Complexity
511
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
377.93265143g/mol
Formal Charge
0
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
9
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
377.93265143g/mol
Particles Size
less than 10nm
Rotatable Bond Count
3
Topological Polar Surface Area
197Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
4.6
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