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Home > Nitro Compounds > 23542-51-0
23542-51-0 | 1-Pentene, 5-nitro-
CAS No: 23542-51-0 Catalog No: AG002NN4 MDL No:
Product Description
Catalog Number:
AG002NN4
Chemical Name:
1-Pentene, 5-nitro-
CAS Number:
23542-51-0
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
IUPAC Name:
5-nitropent-1-ene
InChI:
InChI=1S/C5H9NO2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2
InChI Key:
NPFOLTHIKZSVPQ-UHFFFAOYSA-N
SMILES:
C=CCCC[N+](=O)[O-]
Properties
Complexity:
84.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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