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Home > Nitro Compounds > 88484-94-0
88484-94-0 | Ethanone, 1-[2,5-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3-furanyl]-
CAS No: 88484-94-0 Catalog No: AG004A0S MDL No:
Product Description
Catalog Number:
AG004A0S
Chemical Name:
Ethanone, 1-[2,5-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3-furanyl]-
CAS Number:
88484-94-0
Molecular Formula:
C15H13NO6
Molecular Weight:
303.2668
IUPAC Name:
1-[2,5-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)furan-3-yl]ethanone
InChI:
InChI=1S/C15H13NO6/c1-7(17)14-8(2)22-9(3)15(14)10-4-12-13(21-6-20-12)5-11(10)16(18)19/h4-5H,6H2,1-3H3
InChI Key:
HQIVASJIMVLTGL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1c1c(C)oc(c1C(=O)C)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.27g/mol
Monoisotopic Mass:
303.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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