Oxonic Acid , CAS No.937-13-3

CAS: 937-13-3 Cat. No.: O667814 Peso molecular: 157.08 PubChem CID: 4604
Disponible para pedir
Synonyms
Oxonic Acid | Oteracil | 5-azaorotic acid | Allantoxanic acid | 4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylic acid | Oteracil [INN] | Oxonate | 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid | 4,6-dioxo-1H-1,3,5-triazine-2-carbox
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
O667814-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
O667814-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
Oxonic Acid | Oteracil | 5-azaorotic acid | Allantoxanic acid | 4, 6-dioxo-1, 4, 5, 6-tetrahydro-1, 3, 5-triazine-2-carboxylic acid | Oteracil [INN] | Oxonate | 1, 4, 5, 6-tetrahydro-4, 6-dioxo-1, 3, 5-triazine-2-carboxylic acid | 4, 6-dioxo-1H-1, 3, 5-triazine-2-carbox
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP-1
Nombres e identificadores
Sonrisas canónicasC1(=NC(=O)NC(=O)N1)C(=O)O
IUPAC Name4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
InChIKeyRYYCJUAHISIHTL-UHFFFAOYSA-N
INCHI1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)
Isómeros SMILES C1(=NC(=O)NC(=O)N1)C(=O)O
PubChem CID 4604
Peso molecular 157.08

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseTriazines
SubclassTriazinones
Intermediate Tree Nodes Not available
Direct ParentTriazinones
Alternative Parents 1,3,5-triazines  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Triazinone - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.
External Descriptors monocarboxylic acid - 1,3,5-triazines
Estructura 3D
Modelo de Estructura Química Interactiva





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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular157.080 g/mol
XLogP3-1.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass157.012 Da
Monoisotopic Mass157.012 Da
Topological Polar Surface Area108.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity269.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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