Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate

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Basic information

CAS: 33967-22-5
Standard SMILES: CCOC(=O)C(C(C[N+](=O)[O-])c1ccccc1)C1(C)OCCO1
InChIKey: NBEQJYMPWHAXHW-UHFFFAOYSA-N
Molecular formula: C16H21NO6
Average molar mass: 323.34 g/mol
Monoisotopic mass: 323.13688739

Names & identifiers

Preferred name: Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate
IUPAC: ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenylbutanoate

Names & synonyms

33967-22-5RefChem:342909Ethyl 2-methyl-alpha-(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetateDTXSID501171744ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-4-nitro-3-phenylbutanoateAKOS024372073ST51009298ethyl 2-(2-methyl(1,3-dioxolan-2-yl))-4-nitro-3-phenylbutanoateEthyl 2-methyl-I+/--(2-nitro-1-phenylethyl)-1,3-dioxolane-2-acetate

Database identifiers

CAS: 33967-22-5
PubChem CID: 4610197
DTXSID: DTXSID501171744

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 90.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 409

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Compound notes

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