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Home > Nitro Compounds > 856340-55-1
856340-55-1 | 1-Pentyne, 1-nitro-
CAS No: 856340-55-1 Catalog No: AG004TNC MDL No:
Product Description
Catalog Number:
AG004TNC
Chemical Name:
1-Pentyne, 1-nitro-
CAS Number:
856340-55-1
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
IUPAC Name:
1-nitropent-1-yne
InChI:
InChI=1S/C5H7NO2/c1-2-3-4-5-6(7)8/h2-3H2,1H3
InChI Key:
JUVGJGROUZKRNK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C#CCCC
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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