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Home Carboxys tert-Butyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate

tert-Butyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate

CAS No.:
844891-13-0
Catalog Number:
AG0054QP
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
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Product Description
Catalog Number:
AG0054QP
Chemical Name:
tert-Butyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate
CAS Number:
844891-13-0
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD06659076
IUPAC Name:
tert-butyl 4-formyl-3,5-dimethylpyrazole-1-carboxylate
InChI:
InChI=1S/C11H16N2O3/c1-7-9(6-14)8(2)13(12-7)10(15)16-11(3,4)5/h6H,1-5H3
InChI Key:
AZJWODKWFMBMCM-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1C)C(=O)OC(C)(C)C
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties