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26457-81-8 | 2-Propyn-1-amine, N-nitroso-N-2-propyn-1-yl-
CAS No: 26457-81-8 Catalog No: AG002TAR MDL No:
Product Description
Catalog Number:
AG002TAR
Chemical Name:
2-Propyn-1-amine, N-nitroso-N-2-propyn-1-yl-
CAS Number:
26457-81-8
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
IUPAC Name:
N,N-bis(prop-2-ynyl)nitrous amide
InChI:
InChI=1S/C6H6N2O/c1-3-5-8(7-9)6-4-2/h1-2H,5-6H2
InChI Key:
DGPMVVLTZSLVPR-UHFFFAOYSA-N
SMILES:
O=NN(CC#C)CC#C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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