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Home > Nitro Compounds > 39752-07-3
39752-07-3 | 2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2,3-dihydro-1H-indene-1,3-dione
CAS No: 39752-07-3 Catalog No: AG00ITC4 MDL No:MFCD00170451
Product Description
Catalog Number:
AG00ITC4
Chemical Name:
2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2,3-dihydro-1H-indene-1,3-dione
CAS Number:
39752-07-3
Molecular Formula:
C17H9NO6
Molecular Weight:
323.2565
MDL Number:
MFCD00170451
IUPAC Name:
2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]indene-1,3-dione
InChI:
InChI=1S/C17H9NO6/c19-16-10-3-1-2-4-11(10)17(20)12(16)5-9-6-14-15(24-8-23-14)7-13(9)18(21)22/h1-7H,8H2
InChI Key:
RIWMSZAWFLZAKW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1C=C1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.043g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.26g/mol
Monoisotopic Mass:
323.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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