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3-(5-Oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
[CAS# 701221-57-0]

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Identification
Name 3-(5-Oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Synonyms 3-(5-oxo-3-propyl-2-pyrazolinyl)benzoic acid; 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid; 3-(5-Oxo-3-propyl-4,5-dihydro-pyrazol-1-yl)-benzoic acid
Molecular Structure CAS#: 701221-57-0, 3-(5-Oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Molecular Formula C13H14N2O3
Molecular Weight 246.26
CAS Registry Number 701221-57-0
SMILES O=C(O)c2cccc(N1/N=C(\CC1=O)CCC)c2
InChI 1S/C13H14N2O3/c1-2-4-10-8-12(16)15(14-10)11-6-3-5-9(7-11)13(17)18/h3,5-7H,2,4,8H2,1H3,(H,17,18)
InChIKey OEGWWGDLMDYAAN-UHFFFAOYSA-N
Properties
Density 1.287g/cm3 (Cal.)
Boiling point 491.047°C at 760 mmHg (Cal.)
Flash point 250.777°C (Cal.)
Refractive index 1.614 (Cal.)
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List of Reports Available for 3-(5-Oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
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