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26429-27-6 | 1H-Pyrazolium, 1,2,3-trimethyl-, iodide (1:1)
CAS No: 26429-27-6 Catalog No: AG002T6R MDL No:
Product Description
Catalog Number:
AG002T6R
Chemical Name:
1H-Pyrazolium, 1,2,3-trimethyl-, iodide (1:1)
CAS Number:
26429-27-6
Molecular Formula:
C6H13IN2
Molecular Weight:
240.0853
IUPAC Name:
1,2,3-trimethyl-1,3-dihydropyrazol-1-ium;iodide
InChI:
InChI=1S/C6H12N2.HI/c1-6-4-5-7(2)8(6)3;/h4-6H,1-3H3;1H
InChI Key:
CMUIURPBZLEROO-UHFFFAOYSA-N
SMILES:
CC1C=C[NH+](N1C)C.[I-]
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.012g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.088g/mol
Monoisotopic Mass:
240.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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