Salicylamide O-acetic acid

C9H9NO4CAS 25395-22-6195.17 g/mol

Open in Covalent MOL file
NH2OOOHO
Carboxylic acidEther

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
221 °C
logP
1.03Crippen estimate
Polar surface area
90.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

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
25395-22-6
SMILES
N=C(O)c1ccccc1OCC(=O)O
InChIKey
RLISWLLILOTWGG-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c10-9(13)6-3-1-2-4-7(6)14-5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)

Weigh it out

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

Names and synonyms

12 names
  • Acetic acid, 2-[2-(aminocarbonyl)phenoxy]-
  • Acetic acid, (o-carbamoylphenoxy)-
  • Acetic acid, [2-(aminocarbonyl)phenoxy]-
  • 2-[2-(Aminocarbonyl)phenoxy]acetic acid
  • (o-Carbamoylphenoxy)acetic acid
  • o-Carboxyamidophenoxyacetic acid
  • 2-(Carboxymethoxy)benzamide
  • (2-Carbamoylphenoxy)acetic acid
  • [2-(Aminocarbonyl)phenoxy]acetic acid
  • NSC 65589
  • 2-(2-Carbamoylphenoxy)acetic acid
  • 2-(2-Carbamoylphenoxy)aceticacid

Work with Salicylamide O-acetic acid

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

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.

Sodium orthocarbamylphenoxyacetate3785-32-8Salt

Similar compounds

2-(Carboxymethoxy)benzoic acid635-53-072 % similar 1,2-Phenylenedioxydiacetic acid5411-14-367 % similar 2-Ethoxybenzamide938-73-861 % similar O-Bromophenoxyacetic acid1879-56-758 % similar (2-Methylphenoxy)acetic acid1878-49-556 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-956 % similar o-Chlorophenoxyacetic acid614-61-956 % similar Naphthoxyacetic acid2976-75-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 3-(3-Nitrophenyl)propionic acid1664-57-9 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5

Elsewhere

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