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1005631-56-0,MFCD05667116
Catalog No.:AA00029D
1005631-56-0 | 1H-Pyrazole, 1-(2,2-diethoxyethyl)-4-methyl-
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Technical Information
Catalog Number:
AA00029D
Chemical Name:
1H-Pyrazole, 1-(2,2-diethoxyethyl)-4-methyl-
CAS Number:
1005631-56-0
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
MDL Number:
MFCD05667116
IUPAC Name:
1-(2,2-diethoxyethyl)-4-methylpyrazole
InChI:
InChI=1S/C10H18N2O2/c1-4-13-10(14-5-2)8-12-7-9(3)6-11-12/h6-7,10H,4-5,8H2,1-3H3
InChI Key:
YINHXYHSKRYFEY-UHFFFAOYSA-N
SMILES:
CCOC(Cn1ncc(c1)C)OCC
Properties
Computed Properties
 
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.137g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.266g/mol
Monoisotopic Mass:
198.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
1-(2,2-diethoxyethyl)-4-methyl-1H-pyrazole 
1005631-56-0 
MCULE-6022170951 
1-(2,2-diethoxyethyl)-4-methylpyrazole 
AJ-44144 
DB-058455 
TR-039065 
FT-0687743 
ST45091160 
1H-Pyrazole, 1-(2,2-diethoxyethyl)-4-methyl- 
I14-12923 
I14-15807 
1-(2,2-Diethoxy-ethyl)-4-methyl-1H-pyrazole 
1,1-diethoxy-2-(4-methylpyrazolyl)ethane 
CTK6F9888 
DTXSID30588669 
ZINC2731874 
SBB022684 
STK312146 
AKOS000311391 
Literature
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