4-nitro-benzoic acid hexahydro-furo[2,3-b]furan-3-(R)-yl ester

HCID 67320682
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O[C@H]1COC2OCCC21)c1ccc([N+](=O)[O-])cc1
InChIKey
OBDJXHDUMPQSCX-AKJDGMEZSA-N
Molecular formula
C13H13NO6
Average molar mass
279.24 g/mol

Names & identifiers

Preferred name
4-nitro-benzoic acid hexahydro-furo[2,3-b]furan-3-(R)-yl ester
IUPAC
[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] 4-nitrobenzoate

Names & synonyms

SCHEMBL2217661OBDJXHDUMPQSCX-AKJDGMEZSA-N4-nitro-benzoic acid hexahydro-furo[2,3-b]furan-3-(R)-yl ester

Database identifiers

PubChem CID
67320682

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
90.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

Loading…