4-(Hydroxymethyl)-1,2,5-oxadiazole-3-carboxamide 2-oxide supplier

Name
1,2,5-Oxadiazole-3-carboxamide, 4-(hydroxymethyl)-, 2-oxide (9CI)
EINECS
CAS No. 158590-73-9
Density 2.015 g/cm³
Solubility
Melting Point
Formula C₄H₅N₃O₄
Boiling Point 463.698 °C at 760 mmHg
Molecular Weight 159.101
Flash Point 234.236 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms C 92-4609;1,2,5-Oxadiazole-3-carboxamide, 4-(hydroxymethyl)-, 2-oxide (9CI);
PSA 115.80000
LogP -0.42150

4-(Hydroxymethyl)-1,2,5-oxadiazole-3-carboxamide 2-oxide Specification

The CAS registry number of 1,2,5-Oxadiazole-3-carboxamide,4-(hydroxymethyl)-, 2-oxide is 158590-73-9. It belongs to the product categories of Aldehyde; Amide. This chemical's molecular formula is C₄H₅N₃O₄ and molecular weight is 159.10. What's more, its systematic name is called 4-(Hydroxymethyl)-1,2,5-oxadiazole-3-carboxamide 2-oxide.

Physical properties about 1,2,5-Oxadiazole-3-carboxamide,4-(hydroxymethyl)-, 2-oxide are: (1)ACD/LogP: -0.198; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.20; (4)ACD/LogD (pH 7.4): -0.20; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 18.59; (8)ACD/KOC (pH 7.4): 18.59; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 114.81 Å²; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 31.295 cm³; (15)Molar Volume: 78.969 cm³; (16)Polarizability: 12.406×10^-24cm³; (17)Surface Tension: 102.388 dyne/cm; (18)Density: 2.015 g/cm³; (19)Flash Point: 234.236 °C; (20)Enthalpy of Vaporization: 76.385 kJ/mol; (21)Boiling Point: 463.698 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1[n+]([O-])onc1CO)N
(2) InChI: InChI=1S/C4H5N3O4/c5-4(9)3-2(1-8)6-11-7(3)10/h8H,1H2,(H2,5,9)
(3) InChIKey: IPHRXVUYWVWSTP-UHFFFAOYSA-N

Product Name

1,2,5-Oxadiazole-3-carboxamide, 4-(hydroxymethyl)-, 2-oxide (9CI)

4-(Hydroxymethyl)-1,2,5-oxadiazole-3-carboxamide 2-oxide Specification

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