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Home > Nitro Compounds > 610315-42-9
610315-42-9 | 1,3-dimethyl 2-(2,4-dinitrophenyl)-2-(prop-2-en-1-yl)propanedioate
CAS No: 610315-42-9 Catalog No: AG00IP6F MDL No:MFCD03617952
Product Description
Catalog Number:
AG00IP6F
Chemical Name:
1,3-dimethyl 2-(2,4-dinitrophenyl)-2-(prop-2-en-1-yl)propanedioate
CAS Number:
610315-42-9
Molecular Formula:
C14H14N2O8
Molecular Weight:
338.2696
MDL Number:
MFCD03617952
IUPAC Name:
dimethyl 2-(2,4-dinitrophenyl)-2-prop-2-enylpropanedioate
InChI:
InChI=1S/C14H14N2O8/c1-4-7-14(12(17)23-2,13(18)24-3)10-6-5-9(15(19)20)8-11(10)16(21)22/h4-6,8H,1,7H2,2-3H3
InChI Key:
KBKMMTLIXRIJFK-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(C(=O)OC)C(=O)OC
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.272g/mol
Monoisotopic Mass:
338.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
144A^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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