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Home > Nitro Compounds > 101024-80-0
101024-80-0 | 3-Heptene, 4-(nitromethyl)-
CAS No: 101024-80-0 Catalog No: AG0003KJ MDL No:
Product Description
Catalog Number:
AG0003KJ
Chemical Name:
3-Heptene, 4-(nitromethyl)-
CAS Number:
101024-80-0
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
4-(nitromethyl)hept-3-ene
InChI:
InChI=1S/C8H15NO2/c1-3-5-8(6-4-2)7-9(10)11/h5H,3-4,6-7H2,1-2H3
InChI Key:
MYVVNCHUNIDEIB-UHFFFAOYSA-N
SMILES:
CCCC(=CCC)C[N+](=O)[O-]
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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