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608-80-0 | Hexahydroxybenzene
CAS No: 608-80-0 Catalog No: AG003QWI MDL No:MFCD00013966
Product Description
Catalog Number:
AG003QWI
Chemical Name:
Hexahydroxybenzene
CAS Number:
608-80-0
Molecular Formula:
C6H6O6
Molecular Weight:
174.1082
MDL Number:
MFCD00013966
IUPAC Name:
benzene-1,2,3,4,5,6-hexol
InChI:
InChI=1S/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H
InChI Key:
VWPUAXALDFFXJW-UHFFFAOYSA-N
SMILES:
Oc1c(O)c(O)c(c(c1O)O)O
UNII:
80XJ9A89E2
NSC Number:
528169
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.016g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
174.108g/mol
Monoisotopic Mass:
174.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Hexahydroxybenzene-2,2'-bipyridine (1/2). | Acta crystallographica. Section C, Crystal structure communications 20011001 |
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