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Substance Name: 2-Benzylmalonate
RN: 616-75-1
InChIKey: JAEJSNFTJMYIEF-UHFFFAOYSA-N

Molecular Formula

  • C10-H10-O4

Molecular Weight

  • 194.185
 
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Names and Synonyms

Name of Substance

  • 2-Benzylmalonate

Synonyms

  • 1,1-Ethanedicarboxylic acid, 2-phenyl-
  • 2-Benzylmalonic acid
  • 4-09-00-03357 (Beilstein Handbook Reference)
  • AI3-23865
  • Benzomalonate acid
  • Benzylmalonic acid
  • BRN 0643530
  • EINECS 210-491-5
  • Malonic acid, 2-benzyl-
  • NSC 8068
  • USAF XR-36

Systematic Names

  • Benzylmalonic acid
  • Malonic acid, benzyl-
  • Propanedioic acid, (phenylmethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 616-75-1

System Generated Number

  • 0000616751

Structure Descriptors

InChI

1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)

InChIKey

JAEJSNFTJMYIEF-UHFFFAOYSA-N

Smiles

C(Cc1ccccc1)(C(O)=O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,