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Home Nitros Methyl 2-hydroxy-3,5-dinitrobenzoate

Methyl 2-hydroxy-3,5-dinitrobenzoate

CAS No.:
22633-33-6
Catalog Number:
AG003RO1
Molecular Formula:
C8H6N2O7
Molecular Weight:
242.1424
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Product Description
Catalog Number:
AG003RO1
Chemical Name:
Methyl 2-hydroxy-3,5-dinitrobenzoate
CAS Number:
22633-33-6
Molecular Formula:
C8H6N2O7
Molecular Weight:
242.1424
MDL Number:
MFCD00017561
IUPAC Name:
methyl 2-hydroxy-3,5-dinitrobenzoate
InChI:
InChI=1S/C8H6N2O7/c1-17-8(12)5-2-4(9(13)14)3-6(7(5)11)10(15)16/h2-3,11H,1H3
InChI Key:
UMELTKSLWXJXNZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
245-144-7
NSC Number:
203306
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.018g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.143g/mol
Monoisotopic Mass:
242.018g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
2-Amino-pyridinium 2-meth-oxy-carbonyl-4,6-dinitro-phenolate. Acta crystallographica. Section E, Structure reports online 20120101
A new, efficient glycosylation method for oligosaccharide synthesis under neutral conditions: preparation and use of new DISAL donors. The Journal of organic chemistry 20010921
Properties