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64999-95-7 | 1-Hexene, 5-nitro-
CAS No: 64999-95-7 Catalog No: AG00H6OV MDL No:
Product Description
Catalog Number:
AG00H6OV
Chemical Name:
1-Hexene, 5-nitro-
CAS Number:
64999-95-7
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
IUPAC Name:
5-nitrohex-1-ene
InChI:
InChI=1S/C6H11NO2/c1-3-4-5-6(2)7(8)9/h3,6H,1,4-5H2,2H3
InChI Key:
PRBLIVPUQXVVPG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(CCC=C)C
Properties
Complexity:
106
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:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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