Benzyl 4,5-dihydroxy-2-pentenoate

HCID 54529065
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(C=CC(O)CO)OCc1ccccc1
InChIKey
YVETUVCSJFZNIJ-UHFFFAOYSA-N
Molecular formula
C12H14O4
Average molar mass
222.24 g/mol

Names & identifiers

Preferred name
Benzyl 4,5-dihydroxy-2-pentenoate
IUPAC
benzyl 4,5-dihydroxypent-2-enoate

Names & synonyms

SCHEMBL3725742YVETUVCSJFZNIJ-UHFFFAOYSA-Nbenzyl 4,5-dihydroxy-2-pentenoate

Database identifiers

PubChem CID
54529065

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
16

Related reactions

9 records
New reaction record

Linked notes

Loading…