200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 861209-84-9
861209-84-9 | 1,3-dimethyl 2-(2,4-dinitrophenyl)-2-methylpropanedioate
CAS No: 861209-84-9 Catalog No: AG00IP6E MDL No:MFCD03617951
Product Description
Catalog Number:
AG00IP6E
Chemical Name:
1,3-dimethyl 2-(2,4-dinitrophenyl)-2-methylpropanedioate
CAS Number:
861209-84-9
Molecular Formula:
C12H12N2O8
Molecular Weight:
312.2323
MDL Number:
MFCD03617951
IUPAC Name:
dimethyl 2-(2,4-dinitrophenyl)-2-methylpropanedioate
InChI:
InChI=1S/C12H12N2O8/c1-12(10(15)21-2,11(16)22-3)8-5-4-7(13(17)18)6-9(8)14(19)20/h4-6H,1-3H3
InChI Key:
GSJYBPLNWGEKFM-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(C(=O)OC)C
Properties
Complexity:
465
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.