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Home > Nitro Compounds > 26077-38-3
26077-38-3 | Pentanenitrile, 4,4-dinitro-
CAS No: 26077-38-3 Catalog No: AG002RLZ MDL No:
Product Description
Catalog Number:
AG002RLZ
Chemical Name:
Pentanenitrile, 4,4-dinitro-
CAS Number:
26077-38-3
Molecular Formula:
C5H7N3O4
Molecular Weight:
173.1268
IUPAC Name:
4,4-dinitropentanenitrile
InChI:
InChI=1S/C5H7N3O4/c1-5(7(9)10,8(11)12)3-2-4-6/h2-3H2,1H3
InChI Key:
VAKZTTKNBUFJOD-UHFFFAOYSA-N
SMILES:
N#CCCC([N+](=O)[O-])([N+](=O)[O-])C
NSC Number:
16175
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.128g/mol
Monoisotopic Mass:
173.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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