(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate

CAS: 485-31-4

Molecular Formula	`C15H18N2O6`
Molecular Weight	322.31 g/mol
LogP	4.6
Topological Polar Surface Area	118.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	322.1165
Heavy Atoms	23
Complexity	489.0

Chemical Identifiers

CAS Number	485-31-4
SMILES	`CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C`
InChIKey	`ZRDUSMYWDRPZRM-UHFFFAOYSA-N`

📖 Product Overview

(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate (CAS: 485-31-4) is a chemical compound with molecular formula C15H18N2O6 and molecular weight 322.31 g/mol. Its IUPAC systematic name is (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate. LogP 4.6 Topological Polar Surface Area 118.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 322.1165 Heavy Atoms 23 Complexity 489.0 InChI Key: ZRDUSMYWDRPZRM-UHFFFAOYSA-N. SMILES: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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