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Home > Nitro Compounds > 23281-36-9
23281-36-9 | 1,3-Dioxane, 5,5-dimethyl-2-(3-nitrophenyl)-
CAS No: 23281-36-9 Catalog No: AG002MRQ MDL No:
Product Description
Catalog Number:
AG002MRQ
Chemical Name:
1,3-Dioxane, 5,5-dimethyl-2-(3-nitrophenyl)-
CAS Number:
23281-36-9
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
5,5-dimethyl-2-(3-nitrophenyl)-1,3-dioxane
InChI:
InChI=1S/C12H15NO4/c1-12(2)7-16-11(17-8-12)9-4-3-5-10(6-9)13(14)15/h3-6,11H,7-8H2,1-2H3
InChI Key:
FSETUSRKOSOTEQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1OCC(CO1)(C)C
NSC Number:
48561
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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