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90916-21-5 | 1(3H)-Isobenzofuranone, 4-amino-5,6-dimethoxy-7-nitro-
CAS No: 90916-21-5 Catalog No: AG006GFS MDL No:
Product Description
Catalog Number:
AG006GFS
Chemical Name:
1(3H)-Isobenzofuranone, 4-amino-5,6-dimethoxy-7-nitro-
CAS Number:
90916-21-5
Molecular Formula:
C10H10N2O6
Molecular Weight:
254.1962
IUPAC Name:
4-amino-5,6-dimethoxy-7-nitro-3H-2-benzofuran-1-one
InChI:
InChI=1S/C10H10N2O6/c1-16-8-6(11)4-3-18-10(13)5(4)7(12(14)15)9(8)17-2/h3,11H2,1-2H3
InChI Key:
DHWNTNYDBKXVEG-UHFFFAOYSA-N
SMILES:
COc1c([N+](=O)[O-])c2C(=O)OCc2c(c1OC)N
NSC Number:
72946
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.198g/mol
Monoisotopic Mass:
254.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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