3',4'-Dihydroxypropiophenone

C9H10O3CAS 7451-98-1166.18 g/mol

Open in Covalent MOL file
OOHOH
KetonePhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
146 °C
logP
1.69Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7451-98-1
SMILES
CCC(=O)c1ccc(O)c(O)c1
InChIKey
HNWIHBDMOYWCGX-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-2-7(10)6-3-4-8(11)9(12)5-6/h3-5,11-12H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 3′,4′-Dihydroxypropiophenone
  • 1-Propanone, 1-(3,4-dihydroxyphenyl)-
  • Propiophenone, 3′,4′-dihydroxy-
  • 1-(3,4-Dihydroxyphenyl)-1-propanone
  • 3,4-Dihydroxypropiophenone
  • 1,2-Dihydroxy-4-propionylbenzene
  • NSC 63842

Work with 3',4'-Dihydroxypropiophenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Propiovanillone1835-14-967 % similar 2-Chloro-3′,4′-dihydroxyacetophenone99-40-164 % similar 4'-Hydroxypropiophenone70-70-259 % similar α-Methylamino-3′,4′-dihydroxyacetophenone hydrochloride62-13-558 % similar 3'-Hydroxypropiophenone13103-80-557 % similar Ethyl protocatechuate3943-89-356 % similar 2',5'-Dihydroxypropiophenone938-46-556 % similar 3',4'-Dihydroxyacetophenone1197-09-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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