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Home Carboxys 3,5-Diethyl 1-(2-oxopropyl)pyrazole-3,5-dicarboxylate

3,5-Diethyl 1-(2-oxopropyl)pyrazole-3,5-dicarboxylate

CAS No.:
1015894-22-0
Catalog Number:
AG00H9IM
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00H9IM
Chemical Name:
3,5-Diethyl 1-(2-oxopropyl)pyrazole-3,5-dicarboxylate
CAS Number:
1015894-22-0
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
MDL Number:
MFCD09998248
IUPAC Name:
diethyl 1-(2-oxopropyl)pyrazole-3,5-dicarboxylate
InChI:
InChI=1S/C12H16N2O5/c1-4-18-11(16)9-6-10(12(17)19-5-2)14(13-9)7-8(3)15/h6H,4-5,7H2,1-3H3
InChI Key:
JKXSKJQHYGBMCX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)C(=O)OCC)CC(=O)C
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.106g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.269g/mol
Monoisotopic Mass:
268.106g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties