Home Nitros Mono-4-nitrobenzyl malonate

Mono-4-nitrobenzyl malonate

CAS No.:
77359-11-6
Catalog Number:
AG003LVD
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$33
- +
25g
95%
In Stock USA
United States
$54
- +
100g
95%
In Stock USA
United States
$118
- +
500g
95%
In Stock USA
United States
$414
- +
Product Description
Catalog Number:
AG003LVD
Chemical Name:
Mono-4-nitrobenzyl malonate
CAS Number:
77359-11-6
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD00191556
IUPAC Name:
3-[(4-nitrophenyl)methoxy]-3-oxopropanoic acid
InChI:
InChI=1S/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13)
InChI Key:
RIGFMUNSTCPGNP-UHFFFAOYSA-N
SMILES:
OC(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties