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63183-44-8 | Rhodizonic acid dihydrate
CAS No: 63183-44-8 Catalog No: AG0035KJ MDL No:MFCD00149072
Product Description
Catalog Number:
AG0035KJ
Chemical Name:
Rhodizonic acid dihydrate
CAS Number:
63183-44-8
Molecular Formula:
C6H6O8
Molecular Weight:
206.1070
MDL Number:
MFCD00149072
IUPAC Name:
5,6-dihydroxycyclohex-5-ene-1,2,3,4-tetrone;dihydrate
InChI:
InChI=1S/C6H2O6.2H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8H;2*1H2
InChI Key:
MOXQQBFFKTTYIV-UHFFFAOYSA-N
SMILES:
OC1=C(O)C(=O)C(C(C1=O)(O)O)(O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
206.106g/mol
Monoisotopic Mass:
206.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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