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Cyanuric Acid-13C3

CAT: 0572-TRC-C987717-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C987717-50MGSize:50 mg
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CAS Number
201996-37-4
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
O=[13C]1N[13C](=O)N[13C](=O)N1
Molecular Formula
13C3 H3 N3 O3
Molecular Weight
132.05
InChI
InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)/i1+1,2+1,3+1
Additionnal Information
IUPAC name: (2,4,6-^{13}C_{3})1,3,5-triazinane-2,4,6-trione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(~13~C_3_)-1,3,5-Triazinane-2,4,6-trione

See also: [1,3,5]Triazine-2,4,6-triol-2,4,6-13C3 (annotation moved to).

CAS Number201996-37-4
PubChem CID46781087
IUPAC Name(2,4,6-13C3)1,3,5-triazinane-2,4,6-trione
Molecular FormulaC3H3N3O3
Molecular Weight132.05
XLogP-1.2
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity135
SMILES
[13C]1(=O)N[13C](=O)N[13C](=O)N1
InChI
InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)/i1+1,2+1,3+1
InChIKey
ZFSLODLOARCGLH-VMIGTVKRSA-N
Chemical Structure
2D Structure
2D structure of (~13~C_3_)-1,3,5-Triazinane-2,4,6-trione
CAS: 201996-37-4
CID: 46781087
Formula: C3H3N3O3
MW: 132.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.05
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass132.02750547
Monoisotopic Mass132.02750547
Topological Polar Surface Area87.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity135
Isotope Atom Count3
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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