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Home > Nitro Compounds > 90945-80-5
90945-80-5 | 5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one
CAS No: 90945-80-5 Catalog No: AG00JH39 MDL No:MFCD06739597
Product Description
Catalog Number:
AG00JH39
Chemical Name:
5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one
CAS Number:
90945-80-5
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD06739597
IUPAC Name:
5,6-dimethoxy-7-nitro-3H-2-benzofuran-1-one
InChI:
InChI=1S/C10H9NO6/c1-15-6-3-5-4-17-10(12)7(5)8(11(13)14)9(6)16-2/h3H,4H2,1-2H3
InChI Key:
BLMDOSYVVCGMCC-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc2c(c1[N+](=O)[O-])C(=O)OC2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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