4-Allyloxy-3-nitrocinnamic acid

HCID 54381117
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCOc1ccc(C=CC(=O)O)cc1[N+](=O)[O-]
InChIKey
UZYOIGGUVSVSBG-UHFFFAOYSA-N
Molecular formula
C12H11NO5
Average molar mass
249.22 g/mol
Monoisotopic mass
249.06372245

Names & identifiers

Preferred name
4-Allyloxy-3-nitrocinnamic acid
IUPAC
3-(3-nitro-4-prop-2-enoxyphenyl)prop-2-enoic acid

Names & synonyms

SCHEMBL81157104-Allyloxy-3-nitrocinnamic acidUZYOIGGUVSVSBG-UHFFFAOYSA-N

Database identifiers

PubChem CID
54381117

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
92.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
18

Related reactions

1 records
New reaction record

Linked notes

Loading…