912762-53-9 Purity
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Specification
The molecular formula of the compound is C14H18N2O5.
The synonyms of the compound are 912762-64-2, tert-butyl N-[2-(1,3-benzodioxol-5-yl)-2-hydroxyiminoethyl]carbamate, (2-BENZO[1,3]DIOXOL-5-YL-2-HYDROXYIMINO-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER, MFCD08692510, DTXSID70694374.
The molecular weight of the compound is 294.30 g/mol.
The IUPAC name of the compound is tert-butyl N-[2-(1,3-benzodioxol-5-yl)-2-hydroxyiminoethyl]carbamate.
The InChI of the compound is InChI=1S/C14H18N2O5/c1-14(2,3)21-13(17)15-7-10(16-18)9-4-5-11-12(6-9)20-8-19-11/h4-6,18H,7-8H2,1-3H3,(H,15,17).
The InChIKey of the compound is QHQOXCVHIBQTTC-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC(C)(C)OC(=O)NCC(=NO)C1=CC2=C(C=C1)OCO2.
The XLogP3-AA value of the compound is 2.4.
The compound has 2 hydrogen bond donor counts.
The compound has 6 hydrogen bond acceptor counts.