4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, methyl ester

HCID 28852

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Basic information

CAS: 17960-17-7
Standard SMILES: COC(=O)c1c(-c2ccc([N+](=O)[O-])o2)noc1C
InChIKey: SOJCIQATCCRBTO-UHFFFAOYSA-N
Molecular formula: C10H8N2O6
Average molar mass: 252.18 g/mol
Monoisotopic mass: 252.03823598

Names & identifiers

Preferred name: 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, methyl ester
IUPAC: methyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate

Names & synonyms

BRN 06213044-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(5-NITRO-2-FURYL)-, METHYL ESTER17960-17-7DTXSID601708395-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid methyl esterRefChem:293700DTXCID6093330methyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate

Database identifiers

CAS: 17960-17-7
PubChem CID: 28852
DTXSID: DTXSID60170839

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 111 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 344

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