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501006-40-2,MFCD00266563
Catalog No.:AA00DXSK

501006-40-2 | Methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DXSK
Chemical Name:
Methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
CAS Number:
501006-40-2
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD00266563
SMILES:
COC(=O)CC1=NNC(=O)C1
NSC Number:
281683
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.4  

Literature
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SDS
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Tags:501006-40-2 Molecular Formula|501006-40-2 MDL|501006-40-2 SMILES|501006-40-2 Methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
Catalog No.: AA00DXSK
501006-40-2,MFCD00266563
501006-40-2 | Methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00DXSK
Chemical Name: Methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
CAS Number: 501006-40-2
Molecular Formula: C6H8N2O3
Molecular Weight: 156.1393
MDL Number: MFCD00266563
SMILES: COC(=O)CC1=NNC(=O)C1
NSC Number: 281683
Properties
Complexity: 222  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.4  
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