chempirical

Methyl 3-hydroxypropanoate

C4H8O3CAS 6149-41-3104.11 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C4H8O3
Molar mass
104.11 g/mol
Exact mass
104.0473 Da
logP
-0.46Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

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
6149-41-3
SMILES
COC(=O)CCO
InChIKey
RVGLEPQPVDUSOJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Propanoic acid, 3-hydroxy-, methyl ester

Work with Methyl 3-hydroxypropanoate

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

6-Hydroxyhexanoic acid methyl ester4547-43-769 % similar Dimethyl succinate106-65-067 % similar Dimethyl glutarate1119-40-064 % similar Dimethyl adipate627-93-061 % similar Dimethyl sebacate106-79-658 % similar Dimethyl octadecanedioate1472-93-158 % similar 1,12-Dimethyl dodecanedioate1731-79-958 % similar Dimethyl pimelate1732-08-758 % similar

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

Same formula

(+)-Methyl lactate17392-83-5 (S)-(-)-2-Methoxypropionic acid23953-00-6 (-)-Methyl lactate27871-49-4 Beta-hydroxybutyric acid300-85-6 (S)-2-Hydroxybutyric acid3347-90-8 Erythritan4358-64-9 1,3-Dioxan-5-ol4740-78-7 2,2-Dimethoxyacetaldehyde51673-84-8

Elsewhere

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