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Home > Nitro Compounds > 88484-87-1
88484-87-1 | 1,3-Benzodioxole, 5-nitro-6-(2-nitro-1-propenyl)-
CAS No: 88484-87-1 Catalog No: AG0049HX MDL No:
Product Description
Catalog Number:
AG0049HX
Chemical Name:
1,3-Benzodioxole, 5-nitro-6-(2-nitro-1-propenyl)-
CAS Number:
88484-87-1
Molecular Formula:
C10H8N2O6
Molecular Weight:
252.1803
IUPAC Name:
5-nitro-6-(2-nitroprop-1-enyl)-1,3-benzodioxole
InChI:
InChI=1S/C10H8N2O6/c1-6(11(13)14)2-7-3-9-10(18-5-17-9)4-8(7)12(15)16/h2-4H,5H2,1H3
InChI Key:
KVTULAZMZRAQOD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1C=C([N+](=O)[O-])C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.182g/mol
Monoisotopic Mass:
252.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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