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144194-30-9 | Ethanol, 1-(2-methylpropoxy)-, 1-(2,4-dinitrobenzoate)
CAS No: 144194-30-9 Catalog No: AG001J47 MDL No:
Product Description
Catalog Number:
AG001J47
Chemical Name:
Ethanol, 1-(2-methylpropoxy)-, 1-(2,4-dinitrobenzoate)
CAS Number:
144194-30-9
Molecular Formula:
C13H16N2O7
Molecular Weight:
312.2753
IUPAC Name:
2,4-dinitrobenzoic acid;1-(2-methylpropoxy)ethanol
InChI:
InChI=1S/C7H4N2O6.C6H14O2/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15;1-5(2)4-8-6(3)7/h1-3H,(H,10,11);5-7H,4H2,1-3H3
InChI Key:
PLIMETPEQZJAJS-UHFFFAOYSA-N
SMILES:
CC(COC(OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.293g/mol
Monoisotopic Mass:
330.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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