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Home > Nitro Compounds > 860786-06-7
860786-06-7 | 1,3-dimethyl 2-(5-nitropyridin-2-yl)-2-(prop-2-en-1-yl)propanedioate
CAS No: 860786-06-7 Catalog No: AG00INSA MDL No:MFCD03617783
Product Description
Catalog Number:
AG00INSA
Chemical Name:
1,3-dimethyl 2-(5-nitropyridin-2-yl)-2-(prop-2-en-1-yl)propanedioate
CAS Number:
860786-06-7
Molecular Formula:
C13H14N2O6
Molecular Weight:
294.2601
MDL Number:
MFCD03617783
IUPAC Name:
dimethyl 2-(5-nitropyridin-2-yl)-2-prop-2-enylpropanedioate
InChI:
InChI=1S/C13H14N2O6/c1-4-7-13(11(16)20-2,12(17)21-3)10-6-5-9(8-14-10)15(18)19/h4-6,8H,1,7H2,2-3H3
InChI Key:
MLHFMSYXQYSLDS-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccc(cn1)[N+](=O)[O-])(C(=O)OC)C(=O)OC
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.263g/mol
Monoisotopic Mass:
294.085g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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