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Home Other Building Blocks 2,3,5,6-Tetrahydroxycyclohexa-2,5-diene-1,4-dione hydrate

2,3,5,6-Tetrahydroxycyclohexa-2,5-diene-1,4-dione hydrate

CAS No.:
123334-16-7
Catalog Number:
AG000KEH
Molecular Formula:
C6H6O7
Molecular Weight:
190.1076
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>96.0%(T)
1 week
United States
$127
- +
Product Description
Catalog Number:
AG000KEH
Chemical Name:
2,3,5,6-Tetrahydroxycyclohexa-2,5-diene-1,4-dione hydrate
CAS Number:
123334-16-7
Molecular Formula:
C6H6O7
Molecular Weight:
190.1076
MDL Number:
MFCD17248631
IUPAC Name:
2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione;hydrate
InChI:
InChI=1S/C6H4O6.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h7-8,11-12H;1H2
InChI Key:
CJFTUKFVMMYYHH-UHFFFAOYSA-N
SMILES:
OC1=C(O)C(=O)C(=C(C1=O)O)O.O
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.011g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
190.107g/mol
Monoisotopic Mass:
190.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties