chempirical

4-(Hydroxymethyl)phenoxyacetic acid

C9H10O4CAS 68858-21-9182.17 g/mol

Open in Covalent MOL file
HOOOHO
AlcoholCarboxylic acidEther

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
logP
0.64Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
68858-21-9
SMILES
C1=CC(=CC=C1CO)OCC(=O)O
InChIKey
VUCNQOPCYRJCGQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)

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Names and synonyms

1 names
  • 4-Hydroxymethylphenoxyacetic acid

Work with 4-(Hydroxymethyl)phenoxyacetic 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

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-678 % similar 3-(4-Hydroxymethylphenoxy)propionic acid101366-61-473 % similar (4-Hydroxyphenoxy)acetic acid1878-84-866 % similar Phenoxyacetic acid122-59-865 % similar 4-Chlorophenoxyacetic acid122-88-364 % similar 4-Methoxyphenoxyacetic acid1877-75-464 % similar 2-(4-Bromophenoxy)acetic acid1878-91-764 % similar 4-Iodophenoxyacetic acid1878-94-064 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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