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Home > Nitro Compounds > 651747-69-2
651747-69-2 | Dimethyl 2-(4-cyano-2-nitrophenyl)malonate
CAS No: 651747-69-2 Catalog No: AG003PKW MDL No:MFCD07363809
Product Description
Catalog Number:
AG003PKW
Chemical Name:
Dimethyl 2-(4-cyano-2-nitrophenyl)malonate
CAS Number:
651747-69-2
Molecular Formula:
C12H10N2O6
Molecular Weight:
278.2176
MDL Number:
MFCD07363809
IUPAC Name:
dimethyl 2-(4-cyano-2-nitrophenyl)propanedioate
InChI:
InChI=1S/C12H10N2O6/c1-19-11(15)10(12(16)20-2)8-4-3-7(6-13)5-9(8)14(17)18/h3-5,10H,1-2H3
InChI Key:
VTDCKPNYQDVOLO-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1[N+](=O)[O-])C#N)C(=O)OC
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.22g/mol
Monoisotopic Mass:
278.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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