(2-Formylphenoxy)acetic acid

C₉H₈O₄CAS 6280-80-4180.16 g/mol

Open in Covalent MOL file

Aldehyde Carboxylic acid Ether

Properties

Molecular formula: C₉H₈O₄
Molar mass: 180.16 g/mol
Exact mass: 180.0423 Da
Melting point: 133–135 °C
logP: 0.96Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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

6280-80-4

SMILES

O=Cc1ccccc1OCC(=O)O

InChIKey

ANWMNLAAFDCKMT-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O4/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)

Weigh it out

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

Names and synonyms

8 names

Acetic acid, 2-(2-formylphenoxy)-
Acetic acid, (2-formylphenoxy)-
Acetic acid, (o-formylphenoxy)-
2-(2-Formylphenoxy)acetic acid
o-Formylphenoxyacetic acid
2-Carboxymethoxybenzaldehyde
NSC 133590
NSC 6140

Work with (2-Formylphenoxy)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

Similar compounds

1,2-Phenylenedioxydiacetic acid5411-14-369 % similar Ethyl 2-(2-formylphenoxy)acetate41873-61-461 % similar O-Bromophenoxyacetic acid1879-56-759 % similar (2-Methylphenoxy)acetic acid1878-49-558 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-958 % similar o-Chlorophenoxyacetic acid614-61-958 % similar Naphthoxyacetic acid2976-75-256 % similar 2-(Carboxymethoxy)benzoic acid635-53-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Acetylsalicylic acid13110-96-8 p-Hydroxyphenylpyruvic acid156-39-8 Monomethyl terephthalate1679-64-7 Mono-methyl isophthalate1877-71-0 (4-Formylphenoxy)acetic acid22042-71-3 p-Acetoxybenzoic acid2345-34-8 Methyl 3-formyl-4-hydroxybenzoate24589-99-9 Phenylmalonic acid2613-89-0

Elsewhere

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