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Home > Nitro Compounds > 77566-54-2
77566-54-2 | 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-
CAS No: 77566-54-2 Catalog No: AG005SOC MDL No:
Product Description
Catalog Number:
AG005SOC
Chemical Name:
1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-
CAS Number:
77566-54-2
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
5-nitro-6-prop-2-enyl-1,3-benzodioxole
InChI:
InChI=1S/C10H9NO4/c1-2-3-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h2,4-5H,1,3,6H2
InChI Key:
IVZBNIYDQYPHFO-UHFFFAOYSA-N
SMILES:
C=CCc1cc2OCOc2cc1[N+](=O)[O-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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