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Home > Nitro Compounds > 68332-79-6
68332-79-6 | benzene, 1-(2-methoxyethoxy)-2,4-dinitro-
CAS No: 68332-79-6 Catalog No: AG005R83 MDL No:
Product Description
Catalog Number:
AG005R83
Chemical Name:
benzene, 1-(2-methoxyethoxy)-2,4-dinitro-
CAS Number:
68332-79-6
Molecular Formula:
C9H10N2O6
Molecular Weight:
242.1855
IUPAC Name:
2-hydroxypropyl octanoate
InChI:
InChI=1S/C11H22O3/c1-3-4-5-6-7-8-11(13)14-9-10(2)12/h10,12H,3-9H2,1-2H3
InChI Key:
GHHURQMJLARIDK-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Safety data on 19 vehicles for use in 1 month oral rodent pre-clinical studies: administration of hydroxypropyl-ß-cyclodextrin causes renal toxicity. | Journal of applied toxicology : JAT 20160101 |
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