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Substance Name: 1-Propanone, 1-(2-(hydroxymethyl)cyclopropyl)-2,2-dimethyl-, trans-
RN: 65009-52-1
InChIKey: BMQUNCVYHJMXJR-NKWVEPMBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-O2

Molecular Weight

  • 156.2234
 
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Names and Synonyms

Synonyms

  • trans-1-(2-(Hydroxymethyl)cyclopropyl)-2,2-dimethyl-1-propanone
  • trans-Pivaloyl-2 cyclopropylcarbinol
  • trans-Pivaloyl-2 cyclopropylcarbinol [French]

Systematic Name

  • 1-Propanone, 1-(2-(hydroxymethyl)cyclopropyl)-2,2-dimethyl-, trans-

Registry Numbers

CAS Registry Number

  • 65009-52-1

System Generated Number

  • 0065009521

Structure Descriptors

InChI

1S/C9H16O2/c1-9(2,3)8(11)7-4-6(7)5-10/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1

InChIKey

BMQUNCVYHJMXJR-NKWVEPMBSA-N

Smiles

CC(C)(C)C(=O)[C@@H]1C[C@H]1CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 1300mg/kg (1300mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 689, 1977.