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Uroxanic Acid

CAT: 0572-TRC-U847165-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-U847165-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
508-37-2
Synonyms
2,2-Bis[(aminocarbonyl)amino]propanedioic Acid; Bis[(aminocarbonyl)amino]-propanedioic Acid; Diureido-malonic Acid;
Hazard Statement
No Data Available
Smiles
NC(=O)NC(NC(=O)N)(C(=O)O)C(=O)O
Molecular Formula
C5H8N4O6
Molecular Weight
220.14
Shipping Conditions
Room Temperature

Chemical Information

Uroxanic acid
CAS Number508-37-2
PubChem CID14184747
IUPAC Name2,2-bis(carbamoylamino)propanedioic acid
Molecular FormulaC5H8N4O6
Molecular Weight220.14
XLogP-3
Topological Polar Surface Area185
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity293
SMILES
C(=O)(C(C(=O)O)(NC(=O)N)NC(=O)N)O
InChI
InChI=1S/C5H8N4O6/c6-3(14)8-5(1(10)11,2(12)13)9-4(7)15/h(H,10,11)(H,12,13)(H3,6,8,14)(H3,7,9,15)
InChIKey
MGRKYEXCRGREIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Uroxanic acid
CAS: 508-37-2
CID: 14184747
Formula: C5H8N4O6
MW: 220.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.14
XLogP3-3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass220.04438399
Monoisotopic Mass220.04438399
Topological Polar Surface Area185 Ų
Heavy Atom Count15
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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