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Home > Nitro Compounds > 81500-64-3
81500-64-3 | 1-Pentene, 4-methyl-4-nitro-
CAS No: 81500-64-3 Catalog No: AG005913 MDL No:
Product Description
Catalog Number:
AG005913
Chemical Name:
1-Pentene, 4-methyl-4-nitro-
CAS Number:
81500-64-3
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
IUPAC Name:
4-methyl-4-nitropent-1-ene
InChI:
InChI=1S/C6H11NO2/c1-4-5-6(2,3)7(8)9/h4H,1,5H2,2-3H3
InChI Key:
SFRYSSACJAJJJI-UHFFFAOYSA-N
SMILES:
C=CCC([N+](=O)[O-])(C)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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