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Home > Nitro Compounds > 1806-28-6
1806-28-6 | 2-Pentene, 4-nitro-
CAS No: 1806-28-6 Catalog No: AG002259 MDL No:
Product Description
Catalog Number:
AG002259
Chemical Name:
2-Pentene, 4-nitro-
CAS Number:
1806-28-6
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
IUPAC Name:
4-nitropent-2-ene
InChI:
InChI=1S/C5H9NO2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3
InChI Key:
KFJZPZKGIFVDQR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C=CC)C
Properties
Complexity:
104
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:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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