1,3,5-Benzenetricarboxaldehyde

C9H6O3CAS 3163-76-6162.14 g/mol

Open in Covalent MOL file
OOO
Aldehyde

Properties

Molecular formula
C9H6O3
Molar mass
162.14 g/mol
Exact mass
162.0317 Da
logP
1.12Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
3163-76-6
SMILES
C1=C(C=C(C=C1C=O)C=O)C=O
InChIKey
AEKQNAANFVOBCU-UHFFFAOYSA-N
InChI
InChI=1S/C9H6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-6H

Weigh it out

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

Names and synonyms

1 names
  • Benzene-1,3,5-tricarboxaldehyde

Work with 1,3,5-Benzenetricarboxaldehyde

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

5-Bromoisophthalaldehyde120173-41-367 % similar Isophthalaldehyde626-19-765 % similar 1,4-Benzenedicarboxaldehyde623-27-860 % similar 3,5-Dichlorobenzaldehyde10203-08-458 % similar 3,5-Dihydroxybenzaldehyde26153-38-858 % similar 3,5-Difluorobenzaldehyde32085-88-458 % similar 3,5-Dibromobenzaldehyde56990-02-458 % similar 3,5-Dimethylbenzaldehyde5779-95-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydroxycoumarin1076-38-6 4-Benzofurancarboxylic acid166599-84-4 4-Methylphthalic anhydride19438-61-0 3-Methylphthalic anhydride4792-30-7 2-Benzofurancarboxylic acid496-41-3 6-Hydroxycoumarin6093-68-1 Homophthalic anhydride703-59-3 1-Benzofuran-6-carboxylic acid77095-51-3

Elsewhere

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