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15899-00-0

15899-00-0 | Pyrylium, 2,4,6-trimethyl-

CAS No: 15899-00-0 Catalog No: AG001R35 MDL No:

Product Description

Catalog Number:
AG001R35
Chemical Name:
Pyrylium, 2,4,6-trimethyl-
CAS Number:
15899-00-0
Molecular Formula:
C8H11O+
Molecular Weight:
123.1723
IUPAC Name:
2,4,6-trimethylpyrylium
InChI:
InChI=1S/C8H11O/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3/q+1
InChI Key:
UIDDBKQHVSHHNO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)[o+]c(c1)C

Properties

Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.081g/mol
Formal Charge:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.175g/mol
Monoisotopic Mass:
123.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273. Journal of medicinal chemistry 20090709
Carbonic anhydrase inhibitors. Synthesis of 2,4,6-trimethylpyridinium derivatives of 2-(hydrazinocarbonyl)-3-aryl-1H-indole-5-sulfonamides acting as potent inhibitors of the tumor-associated isoform IX and XII. Bioorganic & medicinal chemistry letters 20090601

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