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4-Butyl-5-methyl-3H-pyrazol-3-one
[CAS# 64076-81-9]

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Identification
Name 4-Butyl-5-methyl-3H-pyrazol-3-one
Synonyms 4-butyl-5-methyl-3H-pyrazol-3-one
Molecular Structure CAS#: 64076-81-9, 4-Butyl-5-methyl-3H-pyrazol-3-one
Molecular Formula C8H12N2O
Molecular Weight 152.19
CAS Registry Number 64076-81-9
SMILES CCCCC1=C(N=NC1=O)C
InChI 1S/C8H12N2O/c1-3-4-5-7-6(2)9-10-8(7)11/h3-5H2,1-2H3
InChIKey XFDMPGWQEPIFJJ-UHFFFAOYSA-N
Properties
Density 1.106g/cm3 (Cal.)
Boiling point 216.744°C at 760 mmHg (Cal.)
Flash point 83.028°C (Cal.)
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