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113501-95-4 | 1H-Pyrazole, 3-methyl-1-octadecyl-
CAS No: 113501-95-4 Catalog No: AG0008T3 MDL No:
Product Description
Catalog Number:
AG0008T3
Chemical Name:
1H-Pyrazole, 3-methyl-1-octadecyl-
CAS Number:
113501-95-4
Molecular Formula:
C22H42N2
Molecular Weight:
334.5823
IUPAC Name:
3-methyl-1-octadecylpyrazole
InChI:
InChI=1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22(2)23-24/h19,21H,3-18,20H2,1-2H3
InChI Key:
GPBUKQLFBUJUSR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCn1ccc(n1)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.335g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.592g/mol
Monoisotopic Mass:
334.335g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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