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Home > Nitro Compounds > 1809-65-0
1809-65-0 | 2-Butene, 3-methyl-1-nitro-
CAS No: 1809-65-0 Catalog No: AG0022G9 MDL No:
Product Description
Catalog Number:
AG0022G9
Chemical Name:
2-Butene, 3-methyl-1-nitro-
CAS Number:
1809-65-0
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
IUPAC Name:
3-methyl-1-nitrobut-2-ene
InChI:
InChI=1S/C5H9NO2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3
InChI Key:
SQASFLRNNKURAK-UHFFFAOYSA-N
SMILES:
CC(=CC[N+](=O)[O-])C
Properties
Complexity:
108
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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