Mono-tert-butyl malonate

CAS Registry Number®

40052-13-9

CAS Name

Mono-tert-butyl malonate

Molecular Formula

C7H12O4

Molecular Mass

160.17

Cite this Page

Mono-tert-butyl malonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40052-13-9 (retrieved 2024-11-22) (CAS RN: 40052-13-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    90 °C @ Press: 2 Torr

  • Melting Point (1)

    19-20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)

InChIKey

InChIKey=NGGGZUAEOKRHMA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC(=O)OC(C)(C)C

Other Names for this Substance

  • Propanedioic acid, 1-(1,1-dimethylethyl) ester
  • Propanedioic acid, mono(1,1-dimethylethyl) ester
  • tert-Butyl hydrogen malonate
  • Mono-tert-butyl malonate
  • Malonic acid tert-butyl monoester

View All

Deleted or Replaced CAS Registry Numbers

50990-09-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration