Home Other Building Blocks 2,2-DIETHOXY-1-(1-METHYL-1H-PYRAZOL-5-YL)ETHAN-1-ONE

2,2-DIETHOXY-1-(1-METHYL-1H-PYRAZOL-5-YL)ETHAN-1-ONE

CAS No.:
1509248-02-5
Catalog Number:
AG01EJW2
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
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Product Description
Catalog Number:
AG01EJW2
Chemical Name:
2,2-DIETHOXY-1-(1-METHYL-1H-PYRAZOL-5-YL)ETHAN-1-ONE
CAS Number:
1509248-02-5
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
MDL Number:
MFCD21938070
IUPAC Name:
2,2-diethoxy-1-(2-methylpyrazol-3-yl)ethanone
InChI:
InChI=1S/C10H16N2O3/c1-4-14-10(15-5-2)9(13)8-6-7-11-12(8)3/h6-7,10H,4-5H2,1-3H3
InChI Key:
ADVDKNPHSGLNBF-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)c1ccnn1C)OCC
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties