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1005631-56-0 | 1H-Pyrazole, 1-(2,2-diethoxyethyl)-4-methyl-
CAS No: 1005631-56-0 Catalog No: AG0002C5 MDL No:
Product Description
Catalog Number:
AG0002C5
Chemical Name:
1H-Pyrazole, 1-(2,2-diethoxyethyl)-4-methyl-
CAS Number:
1005631-56-0
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
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
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
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