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1256633-16-5 | Benzeneacetic acid, α,α-dimethyl-2,4-dinitro-, ethyl ester
CAS No: 1256633-16-5 Catalog No: AG000OAD MDL No:MFCD18070984
Product Description
Catalog Number:
AG000OAD
Chemical Name:
Benzeneacetic acid, α,α-dimethyl-2,4-dinitro-, ethyl ester
CAS Number:
1256633-16-5
Molecular Formula:
C12H14N2O6
Molecular Weight:
282.2494
MDL Number:
MFCD18070984
IUPAC Name:
ethyl 2-(2,4-dinitrophenyl)-2-methylpropanoate
InChI:
InChI=1S/C12H14N2O6/c1-4-20-11(15)12(2,3)9-6-5-8(13(16)17)7-10(9)14(18)19/h5-7H,4H2,1-3H3
InChI Key:
UYHBRSNRQBTZBE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(C)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.252g/mol
Monoisotopic Mass:
282.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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