sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros Dimethyl 2-(5-methyl-2,4-dinitrophenyl)malonate

Dimethyl 2-(5-methyl-2,4-dinitrophenyl)malonate

CAS No.:
941294-15-1
Catalog Number:
AG003PKZ
Molecular Formula:
C12H12N2O8
Molecular Weight:
312.2323
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003PKZ
Chemical Name:
Dimethyl 2-(5-methyl-2,4-dinitrophenyl)malonate
CAS Number:
941294-15-1
Molecular Formula:
C12H12N2O8
Molecular Weight:
312.2323
MDL Number:
MFCD09475811
IUPAC Name:
dimethyl 2-(5-methyl-2,4-dinitrophenyl)propanedioate
InChI:
InChI=1S/C12H12N2O8/c1-6-4-7(10(11(15)21-2)12(16)22-3)9(14(19)20)5-8(6)13(17)18/h4-5,10H,1-3H3
InChI Key:
RYAWZUFEAJRVCR-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)OC
Properties
Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.059g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.234g/mol
Monoisotopic Mass:
312.059g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties