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Acetic acid, oxo-,calcium salt (9CI)

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Name

Acetic acid, oxo-,calcium salt (9CI)

EINECS 221-059-0
CAS No. 2990-19-4 Density 1.384 g/cm3
PSA 114.40000 LogP -4.12960
Solubility N/A Melting Point N/A
Formula C2H2O3.1/2Ca Boiling Point 224.6 °C at 760 mmHg
Molecular Weight 113.11 Flash Point 103.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2990-19-4 (calcium oxoacetate) Hazard Symbols N/A
Synonyms

Glyoxylicacid, calcium salt (8CI);Calcium glyoxylate;

 

Acetic acid, oxo-,calcium salt (9CI) Specification

The Acetic acid, oxo-,calcium salt (9CI) with CAS registry number of 2990-19-4 is also known as Glyoxylicacid, calcium salt (8CI). The IUPAC name is Calcium oxaldehydate. Its EINECS registry number is 221-059-0. In addition, the formula is C2H2O3.1/2Ca and the molecular weight is 113.11.

Physical properties about Acetic acid, oxo-,calcium salt (9CI) are: (1)ACD/LogP: -0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.76; (4)ACD/LogD (pH 7.4): -4.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.37Å2; (13)Flash Point: 103.9 °C; (14)Enthalpy of Vaporization: 50.8 kJ/mol; (15)Boiling Point: 224.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0331 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: [Ca+2].[O-]C(=O)C=O
2. InChI: InChI=1/C2H2O3.Ca/c3-1-2(4)5;/h1H,(H,4,5);/q;+2/p-1
3. InChIKey:VJHAENFJBNQADO-REWHXWOFAI
4. Std. InChI: InChI=1S/C2H2O3.Ca/c3-1-2(4)5;/h1H,(H,4,5);/q;+2/p-1
5. Std. InChIKey: VJHAENFJBNQADO-UHFFFAOYSA-M

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