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28791-86-8 | 1H-Pyrazole, 1,1'-(1-ethylpropylidene)bis-
CAS No: 28791-86-8 Catalog No: AG002WH9 MDL No:
Product Description
Catalog Number:
AG002WH9
Chemical Name:
1H-Pyrazole, 1,1'-(1-ethylpropylidene)bis-
CAS Number:
28791-86-8
Molecular Formula:
C11H16N4
Molecular Weight:
204.2715
IUPAC Name:
1-(3-pyrazol-1-ylpentan-3-yl)pyrazole
InChI:
InChI=1S/C11H16N4/c1-3-11(4-2,14-9-5-7-12-14)15-10-6-8-13-15/h5-10H,3-4H2,1-2H3
InChI Key:
IJEVKOQEOKVTQI-UHFFFAOYSA-N
SMILES:
CCC(n1cccn1)(n1cccn1)CC
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.277g/mol
Monoisotopic Mass:
204.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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