Gentisin

CAS Registry Number®

437-50-3

CAS Name

Gentisin

Molecular Formula

C14H10O5

Molecular Mass

258.23

Cite this Page

Gentisin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=437-50-3 (retrieved 2024-11-21) (CAS RN: 437-50-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    266.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3

InChIKey

InChIKey=XOXYHGOIRWABTC-UHFFFAOYSA-N

SMILES

O=C1C=2C(OC=3C1=CC(O)=CC3)=CC(OC)=CC2O

Canonical SMILES

O=C1C2=CC(O)=CC=C2OC3=CC(OC)=CC(O)=C13

Other Names for this Substance

  • 9H-Xanthen-9-one, 1,7-dihydroxy-3-methoxy-
  • Xanthen-9-one, 1,7-dihydroxy-3-methoxy-
  • 1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one
  • Gentianic acid
  • Gentianin

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