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74045-50-4 | 1H-Imidazole, 1-(1-propynyl)-
CAS No: 74045-50-4 Catalog No: AG008P6W MDL No:
Product Description
Catalog Number:
AG008P6W
Chemical Name:
1H-Imidazole, 1-(1-propynyl)-
CAS Number:
74045-50-4
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
IUPAC Name:
1-prop-1-ynylimidazole
InChI:
InChI=1S/C6H6N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,1H3
InChI Key:
PQZMMHPATJFNNP-UHFFFAOYSA-N
SMILES:
CC#Cn1cncc1
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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