3-(tert-Butoxy)propionic acid

C₇H₁₄O₃CAS 21150-73-2146.19 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₇H₁₄O₃
Molar mass: 146.19 g/mol
Exact mass: 146.0943 Da
logP: 1.28Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

21150-73-2

SMILES

CC(C)(C)OCCC(=O)O

InChIKey

KXZYUJNAHMNZBA-UHFFFAOYSA-N

InChI

InChI=1S/C7H14O3/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)

Weigh it out

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Names and synonyms

1 names

3-tert-Butoxypropionic acid

Work with 3-(tert-Butoxy)propionic 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

tert-Butoxy acetic acid13211-32-063 % similar Mono-tert-butyl succinate15026-17-255 % similar T-Boc-N-amido-peg1-acid1260092-44-150 % similar 20-(tert-Butoxy)-20-oxoicosanoic acid683239-16-950 % similar 18-(tert-Butoxy)-18-oxooctadecanoic acid843666-40-050 % similar 15-(tert-Butoxy)-15-oxopentadecanoic acid905302-42-350 % similar Polyethylene glycol 2-(tert-butoxycarbonylamino)ethyl 2-carboxylethyl ether187848-68-649 % similar 1-(1,1-Dimethylethyl) 5,8,11,14-tetraoxa-2-azaheptadecanedioate756525-91-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Glycidaldehyde diethyl acetal13269-77-7 n-Butyl lactate138-22-7 (3,3-Dimethoxycyclobutyl)methanol175021-11-1 Methyl 3-hydroxyhexanoate21188-58-9 2-(Oxan-2-yloxy)ethan-1-ol2162-31-4 Tetrahydrofurfuryl polyethylene glycol31692-85-0 (4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane32233-43-5 Butyl (2S)-2-hydroxypropanoate34451-19-9

Elsewhere

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