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10234-66-9,MFCD20229439
Catalog No.:AA00075Y
10234-66-9 | 1-Methyl-1h-pyrazol-5(4h)-one
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
1 week  
$165.00   $115.00
- +
5g
97%
1 week  
$361.00   $253.00
- +
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Technical Information
Catalog Number:
AA00075Y
Chemical Name:
1-Methyl-1h-pyrazol-5(4h)-one
CAS Number:
10234-66-9
Molecular Formula:
C4H6N2O
Molecular Weight:
98.1032
MDL Number:
MFCD20229439
IUPAC Name:
2-methyl-4H-pyrazol-3-one
InChI:
InChI=1S/C4H6N2O/c1-6-4(7)2-3-5-6/h3H,2H2,1H3
InChI Key:
NNZXDXMEXBYSRF-UHFFFAOYSA-N
SMILES:
CN1N=CCC1=O
Properties
Computed Properties
 
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.048g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.105g/mol
Monoisotopic Mass:
98.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

Synonyms
 
1-methyl-1H-pyrazol-5(4H)-one 
10234-66-9 
NNZXDXMEXBYSRF-UHFFFAOYSA-N 
2-methyl-2,4-dihydropyrazol-3-one 
0601AA 
MFCD20229439 
AKOS016000947 
ZINC100003567 
ACN-000990 
NE57326 
AK128438 
ST24038083 
3H-Pyrazol-3-one, 2,4-dihydro-2-methyl- 
2-methyl-4H-pyrazol-3-one 
C4H6N2O 
CID10290752 
1-methyl-4,5-dihydro-1H-pyrazol-5-one 
2,4-dihydro-2-methyl-3H-pyrazol-3-one 
1-methyl-2-pyrazolin-5-one 
methyl-1h-pyrazol-5(4h)-one 
CTK0G7656 
KS-00000PFL 
DTXSID10437803 
Literature
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