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bis(6-aminopyrimidine-4-carboxylic acid); sulfuric acid

bis(6-aminopyrimidine-4-carboxylic acid); sulfuric acid

CAS: 2173116-22-6

Formula: C10H12N6O8S

SMILES: OS(O)(=O)=O.NC1=CC(=NC=N1)C(O)=O.NC1=CC(=NC=N1)C(O)=O

IUPAC: bis(6-aminopyrimidine-4-carboxylic acid); sulfuric acid

InChI: InChI=1S/2C5H5N3O2.H2O4S/c2*6-4-1-3(5(9)10)7-2-8-4;1-5(2,3)4/h2*1-2H,(H,9,10)(H2,6,7,8);(H2,1,2,3,4)

Composition: C (31.92%), H (3.21%), N (22.33%), O (34.01%), S (8.52%)

Molar Mass: 376.3

Atom Count: 37

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 376.043732544
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey UBIYJLHMZHVHIA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.62
Topological Polar Surface Area 89.1
Polarizability 12.14
Ring Count 2
Rotatable Bond Count 2

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97% <5 Days 2173116-22-6 $23.96-$216.89$23.96$63.05$216.89
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