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306935-61-5 | [3,3'-Bi-1,2,5-oxadiazole]-4,4'-dicarboxylic acid, hydrate (1:1)
CAS No: 306935-61-5 Catalog No: AG0030VD MDL No:
Product Description
Catalog Number:
AG0030VD
Chemical Name:
[3,3'-Bi-1,2,5-oxadiazole]-4,4'-dicarboxylic acid, hydrate (1:1)
CAS Number:
306935-61-5
Molecular Formula:
C6H4N4O7
Molecular Weight:
244.1186
IUPAC Name:
4-(4-carboxy-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole-3-carboxylic acid;hydrate
InChI:
InChI=1S/C6H2N4O6.H2O/c11-5(12)3-1(7-15-9-3)2-4(6(13)14)10-16-8-2;/h(H,11,12)(H,13,14);1H2
InChI Key:
OMFMIYNFQKXRRJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nonc1c1nonc1C(=O)O.O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.008g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.119g/mol
Monoisotopic Mass:
244.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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