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Home > Nitro Compounds > 16211-96-4
16211-96-4 | 1-Hexen-3-yne, 1-nitro-
CAS No: 16211-96-4 Catalog No: AG001SRY MDL No:
Product Description
Catalog Number:
AG001SRY
Chemical Name:
1-Hexen-3-yne, 1-nitro-
CAS Number:
16211-96-4
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
IUPAC Name:
1-nitrohex-1-en-3-yne
InChI:
InChI=1S/C6H7NO2/c1-2-3-4-5-6-7(8)9/h5-6H,2H2,1H3
InChI Key:
ZDOOQTYTBAJSBB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=CC#CCC
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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