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4-(5-Oxo-3-propyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid
[CAS# 700849-61-2]

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Identification
Name 4-(5-Oxo-3-propyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Synonyms 4-(5-oxo-3-propyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid; 4-(5-Oxo-3-propyl-2,5-dihydro-pyrazol-1-yl)-benzoic acid; 4-(5-oxo-3-propyl-3-pyrazolinyl)benzoic acid
Molecular Structure CAS#: 700849-61-2, 4-(5-Oxo-3-propyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Molecular Formula C13H14N2O3
Molecular Weight 246.26
CAS Registry Number 700849-61-2
SMILES O=C(O)c2ccc(N1C(=O)\C=C(/N1)CCC)cc2
InChI 1S/C13H14N2O3/c1-2-3-10-8-12(16)15(14-10)11-6-4-9(5-7-11)13(17)18/h4-8,14H,2-3H2,1H3,(H,17,18)
InChIKey WZYVGPOGJAMEHI-UHFFFAOYSA-N
Properties
Density 1.267g/cm3 (Cal.)
Boiling point 430.958°C at 760 mmHg (Cal.)
Flash point 214.436°C (Cal.)
Refractive index 1.592 (Cal.)
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