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Home > Nitro Compounds > 122016-40-4
122016-40-4 | Furan, 3-[(1E)-2-nitroethenyl]-
CAS No: 122016-40-4 Catalog No: AG0016MH MDL No:
Product Description
Catalog Number:
AG0016MH
Chemical Name:
Furan, 3-[(1E)-2-nitroethenyl]-
CAS Number:
122016-40-4
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
IUPAC Name:
3-[(E)-2-nitroethenyl]furan
InChI:
InChI=1S/C6H5NO3/c8-7(9)3-1-6-2-4-10-5-6/h1-5H/b3-1+
InChI Key:
YMCXKFWNFUMXOD-HNQUOIGGSA-N
SMILES:
[O-][N+](=O)/C=C/c1cocc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
139.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.11g/mol
Monoisotopic Mass:
139.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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