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27115-36-2

Basic Information
CAS No.: 27115-36-2
Name: CHROMIUM FORMATE
Article Data: 11
Molecular Structure:
Molecular Structure of 27115-36-2 (CHROMIUM FORMATE)
Formula: C3H6CrO6
Molecular Weight: 187.049
Synonyms: Chromiumformate (6CI,7CI);Formic acid, chromium(3+) salt (8CI,9CI);Chromic formate;Chromium(III) formate;
EINECS: 248-230-2
Density: 1.57[at 20℃]
Melting Point: 8.4oC
Boiling Point: 100.6 °C at 760 mmHg
Flash Point: 29.9 °C
Solubility: 1000g/L at 20℃
PSA: 37.30000
LogP: 0.33670
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Specification

The Formic acid,chromium(3+) salt (3:1), with the CAS registry number 27115-36-2 and EINECS registry number 248-230-2, has the systematic name and IUPAC name of chromium(3+) triformate. It is also called formic acid, chromium(3+) salt (3:1). And the molecular formula of the chemical is C3H6CrO6.

The characteristics of Formic acid,chromium(3+) salt (3:1) are as followings: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.3; (4)ACD/LogD (pH 7.4): -3.94; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 29.9 °C; (14)Enthalpy of Vaporization: 22.69 kJ/mol; (15)Boiling Point: 100.6 °C at 760 mmHg; (16)Vapour Pressure: 36.5 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cr+3].[O-]C=O.[O-]C=O.[O-]C=O
(2)InChI: InChI=1/3CH2O2.Cr/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3
(3)InChIKey: QOWZHEWZFLTYQP-DFZHHIFOAK