5-Acetyl-2-hydroxybenzamide

C₉H₉NO₃CAS 40187-51-7179.17 g/mol

Open in Covalent MOL file

Ketone Phenol

Properties

Molecular formula: C₉H₉NO₃
Molar mass: 179.17 g/mol
Exact mass: 179.0582 Da
Melting point: 217 °C
logP: 1.48Crippen estimate
Polar surface area: 81.4 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin83% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled83% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40187-51-7

SMILES

CC(=O)c1ccc(O)c(C(=N)O)c1

InChIKey

LWAQTCWTCCNHJR-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO3/c1-5(11)6-2-3-8(12)7(4-6)9(10)13/h2-4,12H,1H3,(H2,10,13)

Weigh it out

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

Names and synonyms

2 names

Benzamide, 5-acetyl-2-hydroxy-
5-Acetylsalicylamide

Work with 5-Acetyl-2-hydroxybenzamide

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-Acetylsalicylic acid13110-96-871 % similar 3',4'-Dihydroxyacetophenone1197-09-762 % similar 5-(2-Bromoacetyl)-2-hydroxybenzamide73866-23-661 % similar Methyl 5-acetylsalicylate16475-90-457 % similar 4′-Hydroxy-3′-methylacetophenone876-02-857 % similar 1-(3-Chloro-4-hydroxyphenyl)ethanone2892-29-755 % similar 1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one403-14-555 % similar 5-Bromo-2-hydroxybenzamide6329-74-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 Methyl 2-acetylpyridine-4-carboxylate138715-82-9 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 3′-Nitropropiophenone17408-16-1 3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-3-(2-nitrovinyl)benzene3179-09-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook