2-Pyridinecarboxylicacid, 6-(1-formyl-2-oxoethyl)- supplier

Name
2-(2-HYDROXYCARBONYL-6-PYRIDYL)MALONDIALDEHYDE, 95
EINECS
CAS No. 212755-80-1
Density 1.38g/cm³
Solubility
Melting Point 280 °C(dec.)
Formula C₉H₇NO₄
Boiling Point 382.6 °C at 760 mmHg
Molecular Weight 193.15618
Flash Point 185.2 °C
Transport Information
Appearance light brown powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 6-(1, 3-Dioxopropan-2-yl)pyridine-2-carboxylic acid;
PSA 84.33000
LogP 0.26120

2-Pyridinecarboxylicacid, 6-(1-formyl-2-oxoethyl)- Specification

The 2-Pyridinecarboxylicacid, 6-(1-formyl-2-oxoethyl)-, with the CAS registry number of 212755-80-1, is also known as 6-(1, 3-Dioxopropan-2-yl)pyridine-2-carboxylic acid. This chemical's molecular formula is C₉H₇NO₄ and molecular weight is 193.15618. What's more, its systematic name is 6-(1-Formyl-2-oxoethyl)pyridine-2-carboxylic acid. When you are using this chemical, please be cautious that this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Pyridinecarboxylicacid, 6-(1-formyl-2-oxoethyl)- are: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.91; (4)ACD/LogD (pH 7.4): -3.91; (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: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 73.33 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 45.83 cm³; (15)Molar Volume: 139.8 cm³; (16)Polarizability: 18.16×10^-24 cm³; (17)Surface Tension: 64.4 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 185.2 °C; (20)Enthalpy of Vaporization: 66.56 kJ/mol; (21)Boiling Point: 382.6 °C at 760 mmHg; (22)Vapour Pressure: 1.55E-06 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: O=CC(c1nc(ccc1)C(=O)O)C=O
(2) InChI: InChI=1/C9H7NO4/c11-4-6(5-12)7-2-1-3-8(10-7)9(13)14/h1-6H,(H,13,14)
(3) InChIKey: WVLIQUPRRVSTGK-UHFFFAOYAW

Product Name

2-(2-HYDROXYCARBONYL-6-PYRIDYL)MALONDIALDEHYDE, 95

2-Pyridinecarboxylicacid, 6-(1-formyl-2-oxoethyl)- Specification

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