Citric acid monohydrate - analytical standard , CAS No.5949-29-1

CAS: 5949-29-1 Cat. No.: C112631 Formula: C₆H₈O₇·H₂O Peso molecolare: 210.14 Beilstein Registry Number: 4018641 Numero EC: 611-842-9

GRADE & PURITY Analytical standard

Synonyms

INS NO.330 | BS-17269 | citrate hydrate | Citric acid monohydrat | B1650 [LANGUAL] | Citric acid monohydrate, JIS special grade, >=99.5% | CITRIC ACID MONOHYDRATE (USP MONOGRAPH) | CITRATE [II] | CITRIC ACID MONOHYDRATE [WHO-IP] | DTXSID7074668 | CITRIC A

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

INS NO.330 | BS-17269 | citrate hydrate | Citric acid monohydrat | B1650 [LANGUAL] | Citric acid monohydrate, JIS special grade, >=99.5% | CITRIC ACID MONOHYDRATE (USP MONOGRAPH) | CITRATE [II] | CITRIC ACID MONOHYDRATE [WHO-IP] | DTXSID7074668 | CITRIC A

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

Pubchem Sid

508813720

Sorrisi canonici

C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

IUPAC Name

2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate

InChIKey

YASYEJJMZJALEJ-UHFFFAOYSA-N

INCHI

1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2

Isomeri SMILES

C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

WGK Germania

1

RTECS

GE7810000

Peso molecolare

210.14

Beilstein

4018641

Reaxy-Rn

4018641

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4018641&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Alpha hydroxy acids and derivatives Tertiary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: organic molecular entity

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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive.
• Punto di infiammabilità (°F): 345.0 °F
• Punto di infiammabilità (°C): 173.9℃
• Punto di fusione (°C): 135-152°C
• Peso molecolare: 210.140 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 210.038 Da
• Monoisotopic Mass: 210.038 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 227.000
• 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