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Home > Nitro Compounds > 823813-69-0
823813-69-0 | 3-Hexene-1,5-diyne, 4-ethynyl-1-nitro-3-(nitroethynyl)-
CAS No: 823813-69-0 Catalog No: AG004Y0C MDL No:
Product Description
Catalog Number:
AG004Y0C
Chemical Name:
3-Hexene-1,5-diyne, 4-ethynyl-1-nitro-3-(nitroethynyl)-
CAS Number:
823813-69-0
Molecular Formula:
C10H2N2O4
Molecular Weight:
214.1339
IUPAC Name:
4-ethynyl-1-nitro-3-(2-nitroethynyl)hex-3-en-1,5-diyne
InChI:
InChI=1S/C10H2N2O4/c1-3-9(4-2)10(5-7-11(13)14)6-8-12(15)16/h1-2H
InChI Key:
YWEXXKFZRSJVNM-UHFFFAOYSA-N
SMILES:
C#CC(=C(C#C[N+](=O)[O-])C#C[N+](=O)[O-])C#C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.136g/mol
Monoisotopic Mass:
214.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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