Populin
CAS Registry Number®
99-17-2
No image available.
CAS Name
PopulinMolecular Formula
C20H22O8Molecular Mass
390.38Cite this Page
Populin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=99-17-2 (retrieved ) (CAS RN: 99-17-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
180 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1
InChIKey
InChIKey=HHSKNLJWHGXWPK-BFMVXSJESA-N
SMILES
O([C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](O)[C@H](O)[C@H]1O)C3=C(CO)C=CC=C3
Canonical SMILES
O=C(OCC1OC(OC=2C=CC=CC2CO)C(O)C(O)C1O)C=3C=CC=CC3
Other Names for this Substance
- β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, 6-benzoate
- Populin
- Salicin 6′-benzoate
- Salicin 6-benzoate
- Salicin benzoate
