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Home > Nitro Compounds > 610315-36-1
610315-36-1 | 1,3-dimethyl 2-(2-nitrophenyl)-2-(prop-2-en-1-yl)propanedioate
CAS No: 610315-36-1 Catalog No: AG00IQM6 MDL No:MFCD03617785
Product Description
Catalog Number:
AG00IQM6
Chemical Name:
1,3-dimethyl 2-(2-nitrophenyl)-2-(prop-2-en-1-yl)propanedioate
CAS Number:
610315-36-1
Molecular Formula:
C14H15NO6
Molecular Weight:
293.2720
MDL Number:
MFCD03617785
IUPAC Name:
dimethyl 2-(2-nitrophenyl)-2-prop-2-enylpropanedioate
InChI:
InChI=1S/C14H15NO6/c1-4-9-14(12(16)20-2,13(17)21-3)10-7-5-6-8-11(10)15(18)19/h4-8H,1,9H2,2-3H3
InChI Key:
LVOZURVAWKHIEG-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccccc1[N+](=O)[O-])(C(=O)OC)C(=O)OC
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.275g/mol
Monoisotopic Mass:
293.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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