Violuric acid monohydrate - ≥97% , CAS No.26351-19-9

CAS: 26351-19-9 Cat. No.: V106871 분자식: C₄H₃N₃O₄·H₂O 분자량: 175.1 Beilstein Registry Number: 162342 EC 번호: 629-208-5 PubChem CID: 135845148

등급 & 순도 ≥97%

Synonyms

2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime, monohydrate|Violuric acid monohydrate|6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione;hydrate|2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime, hydrate (1:1)|Alloxan-5-oxime monohydrate|pyrimidine-2,4,5,6(1H,3H)-tetrone monohydrate|6-Hydroxy-5-nitrosopyrimidine-2,4(1H,3H)-dione Hydrate|5-(Hydroxyimino)pyrimidine-2,4,6(1H,3H,5H)-trione hydrate|5-(hydroxyimino)-1,3-diazinane-2,4,6-trione hydrate

Storage

Room temperature

Shipped In

Normal

개요

for spectrophotometric detect of Co

사양

동의어

2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime, monohydrate | Violuric acid monohydrate | 6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione;hydrate | 2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oxime, hydrate (1:1) | Alloxan-5-oxime monohydrate | pyrimidine-2,4,5,6(1H,3H)-tetrone monohydrate | 6-Hydroxy-5-nitrosopyrimidine-2,4(1H,3H)-dione Hydrate | 5-(Hydr Show more

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

488203004

정식 스마일

C1(=C(NC(=O)NC1=O)O)N=O.O

IUPAC Name

6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione;hydrate

InChIKey

QJGCOHAQRQNJFS-UHFFFAOYSA-N

INCHI

1S/C4H3N3O4.H2O/c8-2-1(7-11)3(9)6-4(10)5-2;/h(H3,5,6,8,9,10);1H2

이성체 SMILES

C1(=C(NC(=O)NC1=O)O)N=O.O

WGK 독일

3

PubChem CID

135845148

분자량

175.1

Beilstein

162342

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyrimidines
• Alternative Parents: Pyrimidones Vinylogous amides Vinylogous acids Heteroaromatic compounds Organic carbonic acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds C-nitroso compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyrimidine - Pyrimidone - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Carbonic acid derivative - Lactam - Organic nitroso compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - C-nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 녹는점(°C): 240-250°C
• 분자량: 175.100 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 175.023 Da
• Monoisotopic Mass: 175.023 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 269.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3