Methyl 3-(4-nitrophenyl)-1-adamantaneacetate

HCID 2843871

Notes Reactions

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Basic information

Standard SMILES: COC(=O)CC12CC3CC(C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2
InChIKey: RYYGMURXMWRUFA-UHFFFAOYSA-N
Molecular formula: C19H23NO4
Average molar mass: 329.4 g/mol

Names & identifiers

Preferred name: Methyl 3-(4-nitrophenyl)-1-adamantaneacetate
IUPAC: methyl 2-[3-(4-nitrophenyl)-1-adamantyl]acetate

Names & synonyms

CBMicro_048190Oprea1_033180SCHEMBL8082109RYYGMURXMWRUFA-UHFFFAOYSA-NCCG-350674BIM-0048266.P001methyl 3-(4-nitrophenyl)-1-adamantaneacetatemethyl [3-(4-nitrophenyl)-1-adamantyl]acetateSR-01000207241SR-01000207241-1

Database identifiers

PubChem CID: 2843871

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 518

Related reactions

2 records

New reaction record

HRID 21683As productuspto-grants-1995_06

HRID 51984As productuspto-grants-1997_04

Compound notes

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