p-Nitrobenzyl 4-carboxy-4-methylvalerate

HCID 20140795
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Basic information

Standard SMILES
CC(C)(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIKey
OWGUJPQCGKKDBN-UHFFFAOYSA-N
Molecular formula
C14H17NO6
Average molar mass
295.29 g/mol

Names & identifiers

Preferred name
p-Nitrobenzyl 4-carboxy-4-methylvalerate
IUPAC
2,2-dimethyl-5-[(4-nitrophenyl)methoxy]-5-oxopentanoic acid

Names & synonyms

SCHEMBL10639281OWGUJPQCGKKDBN-UHFFFAOYSA-Np-nitrobenzyl 4-carboxy-4-methylvalerate

Database identifiers

PubChem CID
20140795

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
21

Related reactions

1 records
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Compound notes

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