Home Nitros 1-Butene, 3-methyl-1-nitro-, (1E)-

1-Butene, 3-methyl-1-nitro-, (1E)-

CAS No.:
27675-38-3
Catalog Number:
AG002UEC
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
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Product Description
Catalog Number:
AG002UEC
Chemical Name:
1-Butene, 3-methyl-1-nitro-, (1E)-
CAS Number:
27675-38-3
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
MDL Number:
MFCD11226257
IUPAC Name:
(E)-3-methyl-1-nitrobut-1-ene
InChI:
InChI=1S/C5H9NO2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3/b4-3+
InChI Key:
ARGNGGCUTGQKIA-ONEGZZNKSA-N
SMILES:
CC(/C=C/[N+](=O)[O-])C
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties