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Home > Nitro Compounds > 26465-37-2
26465-37-2 | Propanedioic acid, 2-(2-nitrophenyl)-, 1,3-dimethyl ester
CAS No: 26465-37-2 Catalog No: AG002TCG MDL No:MFCD03617780
Product Description
Catalog Number:
AG002TCG
Chemical Name:
Propanedioic acid, 2-(2-nitrophenyl)-, 1,3-dimethyl ester
CAS Number:
26465-37-2
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
MDL Number:
MFCD03617780
IUPAC Name:
dimethyl 2-(2-nitrophenyl)propanedioate
InChI:
InChI=1S/C11H11NO6/c1-17-10(13)9(11(14)18-2)7-5-3-4-6-8(7)12(15)16/h3-6,9H,1-2H3
InChI Key:
YDGNTNNTVUTSQE-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1[N+](=O)[O-])C(=O)OC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.21g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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