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Substance Name: 2-Heptenoic acid
RN: 18999-28-5
UNII: KZ9306E71N
InChIKey: YURNCBVQZBJDAJ-AATRIKPKSA-N

Molecular Formula

  • C7-H12-O2

Molecular Weight

  • 128.17
 
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Names and Synonyms

Name of Substance

  • 2-Heptenoic acid

Synonyms

  • 2-Heptenoic acid
  • EINECS 242-738-8
  • UNII-KZ9306E71N

Systematic Name

  • Hept-2-enoic acid

Registry Numbers

CAS Registry Number

  • 18999-28-5

FDA UNII

  • KZ9306E71N

System Generated Number

  • 0018999285

Structure Descriptors

InChI

1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+

InChIKey

YURNCBVQZBJDAJ-AATRIKPKSA-N

Smiles

C(=C\C(O)=O)\CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1600mg/kg (1600mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
mouse LD50 subcutaneous 1600mg/kg (1600mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.90E+01 deg C   EXP
Boiling Point 226.5 deg C   EXP
log P (octanol-water) 2.330 (none)   EST
Atmospheric OH Rate Constant 2.41E-11 cm3/molecule-sec 25 EST

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