Reaxys
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Reactions (1332)
Structure
Substances (7)
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Citations (472)
Structure/Compound Data Chemical Name: phenyl propargyl ketone Reaxys Registry Number: 606216
CAS Registry Number: 3623-15-2 Type of Substance: isocyclic Molecular Formula: C9H6O Linear Structure Formula: HCCCOC6H5
Molecular Weight: 130.146
InChI Key: JITPLZPWKYUTDM-UHFFFAOYSA-N
1
N° of preparations All Preps | All Reactions
Available Data
36 prep out of 1310 reactions.
2 prep out of 2 reactions.
Target
N° of ref.
Druglikeness
Identification Physical Data (46) Spectra (85)
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470
Druglikeness
Identification Physical Data (1) Spectra (4)
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1
Synthesize | Show Details Find similar Chemical Name: 1-phenyl-[3-13C]prop-2-yn-1-one Reaxys Registry Number: 8899639
Type of Substance: isocyclic Molecular Formula: C9H6O Linear Structure Formula: C8(13)CH6O
Molecular Weight: 131.135
InChI Key: JITPLZPWKYUTDM-OUBTZVSYSA-N
2
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Chemical Name: 1-phenyl-3-deuterioprop-2-yn-1-one
2 prep out of 18 reactions.
Druglikeness
Identification Physical Data (1) Spectra (3)
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4
Reaxys Registry Number: 4799345
CAS Registry Number: 134817-20-2 Type of Substance: isocyclic Molecular Formula: C9H6O Linear Structure Formula: C9H5TO Molecular Weight: 132.138
InChI Key: JITPLZPWKYUTDM-CNRUNOGKSA-N
1 prep out of 2 reactions.
Druglikeness
Identification
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1
Chemical Name: 1-pentadeuteriophenyl-propynone
1 prep out of 2 reactions.
Druglikeness
Identification Physical Data (1)
Show Targets
1
1 prep out of 2 reactions.
Druglikeness
Identification
Show Targets
2
1 prep
Druglikeness
Show
1
Reaxys Registry Number: 4969866
CAS Registry Number: 81060-96-0 Type of Substance: isocyclic Molecular Formula: C9H6O Linear Structure Formula: C9H5DO Molecular Weight: 131.138
InChI Key: JITPLZPWKYUTDM-MICDWDOJSA-N
3
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4
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Reaxys Registry Number: 2449772
CAS Registry Number: 38443-49-1 Type of Substance: isocyclic Molecular Formula: C9H6O Linear Structure Formula: C9HD5O Molecular Weight: 135.106
InChI Key: JITPLZPWKYUTDM-DKFMXDSJSA-N
5
Synthesize | Show Details Find similar Reaxys Registry Number: 16964559
Type of Substance: Isotope or isotope containing compound Molecular Formula: C9H5O*Na Linear Structure Formula: Na(1+)*CCOCC6H5(1)=NaCCOCC H 6 5
Molecular Weight: 152.128
InChI Key: CJNLJLUWMKFAJC-UHFFFAOYSA-N 6
Synthesize | Show Details Find similar Reaxys Registry Number: 23667427
Molecular Formula: Ag*C9H5O Linear Structure Formula: C9H5O(1-)*Ag(1+) Molecular Weight: 237.006
InChI Key: XKNNGAPVRFUWKH-UHFFFAOYSA-N
7
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out of 2 reactions.
Identification
Targets