1,3-Dimethyl 2-(phenylmethyl)propanedioate

CAS Registry Number®

49769-78-0

CAS Name

1,3-Dimethyl 2-(phenylmethyl)propanedioate

Molecular Formula

C12H14O4

Molecular Mass

222.24

Cite this Page

1,3-Dimethyl 2-(phenylmethyl)propanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=49769-78-0 (retrieved 2024-11-24) (CAS RN: 49769-78-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    130 °C @ Press: 2 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

InChIKey

InChIKey=ZMYJSOIMFGAQRQ-UHFFFAOYSA-N

SMILES

C(CC1=CC=CC=C1)(C(OC)=O)C(OC)=O

Canonical SMILES

O=C(OC)C(C(=O)OC)CC=1C=CC=CC1

Other Names for this Substance

  • Propanedioic acid, 2-(phenylmethyl)-, 1,3-dimethyl ester
  • Propanedioic acid, (phenylmethyl)-, dimethyl ester
  • Malonic acid, benzyl-, dimethyl ester
  • 1,3-Dimethyl 2-(phenylmethyl)propanedioate
  • Dimethyl benzylmalonate

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