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Home > Nitro Compounds > 866144-50-5
866144-50-5 | 1,3-dimethyl 2-ethyl-2-(4-nitrophenyl)propanedioate
CAS No: 866144-50-5 Catalog No: AG00IW4P MDL No:MFCD03617762
Product Description
Catalog Number:
AG00IW4P
Chemical Name:
1,3-dimethyl 2-ethyl-2-(4-nitrophenyl)propanedioate
CAS Number:
866144-50-5
Molecular Formula:
C13H15NO6
Molecular Weight:
281.2613
MDL Number:
MFCD03617762
IUPAC Name:
dimethyl 2-ethyl-2-(4-nitrophenyl)propanedioate
InChI:
InChI=1S/C13H15NO6/c1-4-13(11(15)19-2,12(16)20-3)9-5-7-10(8-6-9)14(17)18/h5-8H,4H2,1-3H3
InChI Key:
RYEBXZSAGYRIGY-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)[N+](=O)[O-])(C(=O)OC)C(=O)OC
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.264g/mol
Monoisotopic Mass:
281.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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