Home Nitros diethyl (2-nitrophenyl)malonate

diethyl (2-nitrophenyl)malonate

CAS No.:
10565-14-7
Catalog Number:
AG009NYO
Molecular Formula:
C13H15NO6
Molecular Weight:
281.2613
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG009NYO
Chemical Name:
diethyl (2-nitrophenyl)malonate
CAS Number:
10565-14-7
Molecular Formula:
C13H15NO6
Molecular Weight:
281.2613
MDL Number:
MFCD06204601
IUPAC Name:
diethyl 2-(2-nitrophenyl)propanedioate
InChI:
InChI=1S/C13H15NO6/c1-3-19-12(15)11(13(16)20-4-2)9-7-5-6-8-10(9)14(17)18/h5-8,11H,3-4H2,1-2H3
InChI Key:
ZOUAMWVPTIVCRF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.09g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.264g/mol
Monoisotopic Mass:
281.09g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties