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2990-19-4

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Basic Information
CAS No.: 2990-19-4
Name: calcium oxoacetate
Molecular Structure:
Molecular Structure of 2990-19-4 (calcium oxoacetate)
Formula: C2H2O3.1/2Ca
Molecular Weight: 113.11
Synonyms: Glyoxylicacid, calcium salt (8CI);Calcium glyoxylate;
EINECS: 221-059-0
Density: 1.384 g/cm3
Boiling Point: 224.6 °C at 760 mmHg
Flash Point: 103.9 °C
PSA: 114.40000
LogP: -4.12960
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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