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Home > Nitro Compounds > 89586-40-3
89586-40-3 | 1,3-Isobenzofurandione, 4-methoxy-6-methyl-5-nitro-
CAS No: 89586-40-3 Catalog No: AG003Z42 MDL No:
Product Description
Catalog Number:
AG003Z42
Chemical Name:
1,3-Isobenzofurandione, 4-methoxy-6-methyl-5-nitro-
CAS Number:
89586-40-3
Molecular Formula:
C10H7NO6
Molecular Weight:
237.1657
IUPAC Name:
4-methoxy-6-methyl-5-nitro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C10H7NO6/c1-4-3-5-6(10(13)17-9(5)12)8(16-2)7(4)11(14)15/h3H,1-2H3
InChI Key:
IARXUSZUQRPXOT-UHFFFAOYSA-N
SMILES:
COc1c2C(=O)OC(=O)c2cc(c1[N+](=O)[O-])C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.027g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.167g/mol
Monoisotopic Mass:
237.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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