chempirical

Methyl 2-phenoxyacetate

C9H10O3CAS 2065-23-8166.18 g/mol

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EsterEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Density
1.1493 g/mL (at 20 °C)
Melting point
245 °C
Boiling point
245 °C
logP
1.24Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
2065-23-8
SMILES
COC(=O)COc1ccccc1
InChIKey
BZCKRPHEZOHHBK-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3

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Names and synonyms

5 names
  • Acetic acid, 2-phenoxy-, methyl ester
  • Acetic acid, phenoxy-, methyl ester
  • Phenoxyacetic acid methyl ester
  • Methyl phenoxyacetate
  • NSC 32414

Work with Methyl 2-phenoxyacetate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenoxyacetic anhydride14316-61-169 % similar Ethyl 2-phenoxyacetate2555-49-964 % similar Methyl phenylacetate101-41-756 % similar 1-Phenoxy-2-propanone621-87-456 % similar Methyl 3-phenylpropionate103-25-355 % similar Allyl phenoxyacetate7493-74-554 % similar Phenoxyacetic acid122-59-852 % similar 2-Phenoxyacetyl chloride701-99-552 % 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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