363412 <common-name>Tert-butyl 2-methyl-2-nitropropanoate</common-name> <description>Tert-butyl 2-methyl-2-nitropropanoate is a chemical compound with the formula C8H15NO4. It has an average molecular weight of 189.21 g/mol.</description> <cas>99969-78-5</cas> <pubchem-id>3542088</pubchem-id> <chemical-formula>C8H15NO4</chemical-formula> <weight>189.21</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-09-01T12:58:40Z</created-at> <updated-at type="dateTime">2026-09-01T12:58:40Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C)(C)OC(=O)C(C)(C)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C8H15NO4</moldb-formula> <moldb-inchi>InChI=1S/C8H15NO4/c1-7(2,3)13-6(10)8(4,5)9(11)12/h1-5H3</moldb-inchi> <moldb-inchikey>ARUQUOQAOGPTLW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">189.100108</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM359305</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Tert-butyl 2-methyl-2-nitropropanoate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0065027</sync-id> <structure-inchikey>ARUQUOQAOGPTLW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000200000000002000000000000000000000000000018000000000000000000000000000000000000000800000000000000000000000000000000000000000400000000000040000000020000000000100001000000000400000000000010000000200000000000000000000000000000000000000000000000000000040000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000400000000000000000000000000000100000000000000400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADAAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMGAGAAAAABAwgAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAIAAA AAQGAGAAAAABAwYAYAAAAAEDByAqAAAAAQMECAAoAAAAAwIIICoAAAD/AwEL AAEAAQIAAQMAAQQABAUgBQYoAgUHAAcIAAcJAAcKAAoLKAIKDCBCAAAAABcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:00:06Z</structure-indexed-at> </compound>