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Substance Name: Cyclopropanecarboxylic acid
RN: 1759-53-1
UNII: 008803351S
InChIKey: YMGUBTXCNDTFJI-UHFFFAOYSA-N

Molecular Formula

  • C4-H6-O2

Molecular Weight

  • 86.0894
 
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Names and Synonyms

Name of Substance

  • Cyclopropanecarboxylic acid

Synonyms

  • 4-09-00-00003 (Beilstein Handbook Reference)
  • AI3-30542
  • BRN 0969839
  • Carboxycyclopropane
  • Cyclopropionic acid
  • Cyclopropylcarboxylic acid
  • EINECS 217-162-5
  • NSC 1112
  • UNII-008803351S

Systematic Name

  • Cyclopropanecarboxylic acid

Registry Numbers

CAS Registry Number

  • 1759-53-1

FDA UNII

  • 008803351S

System Generated Number

  • 0001759531

Structure Descriptors

InChI

1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)

InChIKey

YMGUBTXCNDTFJI-UHFFFAOYSA-N

Smiles

C1CC1C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 172mg/kg (172mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03926,
mouse LD50 subcutaneous 172mg/kg (172mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 18.5 deg C   EXP
Boiling Point 183 deg C   EXP
pKa Dissociation Constant 4.83 (none) 25 EXP
log P (octanol-water) 0.63 (none)   EXP
Water Solubility 9.15E+04 mg/L 25 EST
Vapor Pressure 1.530 mm Hg 25 EST
Henry's Law Constant 4.26E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.21E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.