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Substance Name: Hex-3-yne-2,5-diol
RN: 3031-66-1
UNII: 538TMM2U3G
InChIKey: KDOWHHULNTXTNS-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-O2

Molecular Weight

  • 114.143
 
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Names and Synonyms

Name of Substance

  • Hex-3-yne-2,5-diol

Synonyms

  • 3-01-00-02271 (Beilstein Handbook Reference)
  • 3-Hexyne-3,5-diol
  • BRN 1720667
  • EC 221-209-5
  • EINECS 221-209-5
  • Hexyne-3-diol-2,5
  • NSC 409184
  • UNII-538TMM2U3G

Systematic Names

  • 3-Hexyne-2,5-diol
  • Hex-3-yne-2,5-diol

Registry Numbers

CAS Registry Number

  • 3031-66-1

FDA UNII

  • 538TMM2U3G

System Generated Number

  • 0003031661

Structure Descriptors

InChI

1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3

InChIKey

KDOWHHULNTXTNS-UHFFFAOYSA-N

Smiles

C([C@@H](C)O)#C[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 378, 1952.