Ethyl 4-methyl-2-nitro-3-(2-oxopropyl)hexanoate

HCID 87486758
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Basic information

Standard SMILES
CCOC(=O)C(C(CC(C)=O)C(C)CC)[N+](=O)[O-]
InChIKey
ZQYFBANQWJFRMF-UHFFFAOYSA-N
Molecular formula
C12H21NO5
Average molar mass
259.3 g/mol
Monoisotopic mass
259.14197277

Names & identifiers

Preferred name
Ethyl 4-methyl-2-nitro-3-(2-oxopropyl)hexanoate
IUPAC
ethyl 4-methyl-2-nitro-3-(2-oxopropyl)hexanoate

Names & synonyms

SCHEMBL3156700

Database identifiers

PubChem CID
87486758

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
89.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
18

Related reactions

1 records
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Compound notes

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