Gallocatechol

C15H14O7CAS 970-73-0306.27 g/mol

HOOHOOHOHHOOH
AlcoholEtherPhenol

Properties

Molecular formula
C15H14O7
Molar mass
306.27 g/mol
Exact mass
306.0740 Da
Melting point
218 °C
logP
1.25Crippen estimate
Polar surface area
130.6 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
1
Stereocentres
R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
970-73-0
SMILES
Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2
InChIKey
XMOCLSLCDHWDHP-SWLSCSKDSA-N
InChI
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1

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Names and synonyms

11 names
  • 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R,3S)-
  • 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-
  • Gallocatechol, d-
  • (2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol
  • (+)-Gallocatechin
  • (+)-Gallocatechol
  • d-Gallocatechin
  • Gallocatechin
  • NSC 674038
  • (2R,3S)-(+)-Gallocatechin
  • Sunphenon EGC-OP

Work with Gallocatechol

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere