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Substance Name: Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-
RN: 473-72-3
InChIKey: SIZDUQQDBXJXLQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H16-O3

Molecular Weight

  • 184.233
 
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Names and Synonyms

Synonyms

  • 3-Acetyl-2,2-dimethylcyclobutaneacetic acid
  • AI3-19190
  • EINECS 207-471-3
  • NSC 29469
  • Pinonic acid

Systematic Names

  • cis-3-Acetyl-2,2-dimethylcyclobutylacetic acid
  • Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-

Registry Numbers

CAS Registry Number

  • 473-72-3

System Generated Number

  • 0000473723

Structure Descriptors

InChI

1S/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13)

InChIKey

SIZDUQQDBXJXLQ-UHFFFAOYSA-N

Smiles

C1([C@@H](C[C@@H]1C(C)=O)CC(O)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 227, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.600 (none)   EST
Water Solubility 4.90E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 4.70E-12 cm3/molecule-sec 25 EST

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