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Home > Nitro Compounds > 823813-67-8
823813-67-8 | 3-Hexene-1,5-diyne, 3,4-diethynyl-1-nitro-
CAS No: 823813-67-8 Catalog No: AG0052W5 MDL No:
Product Description
Catalog Number:
AG0052W5
Chemical Name:
3-Hexene-1,5-diyne, 3,4-diethynyl-1-nitro-
CAS Number:
823813-67-8
Molecular Formula:
C10H3NO2
Molecular Weight:
169.1363
IUPAC Name:
3,4-diethynyl-1-nitrohex-3-en-1,5-diyne
InChI:
InChI=1S/C10H3NO2/c1-4-9(5-2)10(6-3)7-8-11(12)13/h1-3H
InChI Key:
WLWMJZPFRDWAHA-UHFFFAOYSA-N
SMILES:
C#CC(=C(C#C)C#C)C#C[N+](=O)[O-]
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.139g/mol
Monoisotopic Mass:
169.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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