Home Nitros Methyl 3-(acetoxymethyl)-4-nitrobenzoate

Methyl 3-(acetoxymethyl)-4-nitrobenzoate

CAS No.:
201933-03-1
Catalog Number:
AG0027X5
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$250
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Product Description
Catalog Number:
AG0027X5
Chemical Name:
Methyl 3-(acetoxymethyl)-4-nitrobenzoate
CAS Number:
201933-03-1
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
MDL Number:
MFCD30489201
IUPAC Name:
methyl 3-(acetyloxymethyl)-4-nitrobenzoate
InChI:
InChI=1S/C11H11NO6/c1-7(13)18-6-9-5-8(11(14)17-2)3-4-10(9)12(15)16/h3-5H,6H2,1-2H3
InChI Key:
DTOYHEZLUYOUOE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)COC(=O)C)[N+](=O)[O-]
Properties
Complexity:
337  
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:
1.3  
Properties