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Home > Nitro Compounds > 70531-25-8
70531-25-8 | Pentanoic acid, 2,4-dinitrophenyl ester
CAS No: 70531-25-8 Catalog No: AG005I4R MDL No:
Product Description
Catalog Number:
AG005I4R
Chemical Name:
Pentanoic acid, 2,4-dinitrophenyl ester
CAS Number:
70531-25-8
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
IUPAC Name:
(2,4-dinitrophenyl) pentanoate
InChI:
InChI=1S/C11H12N2O6/c1-2-3-4-11(14)19-10-6-5-8(12(15)16)7-9(10)13(17)18/h5-7H,2-4H2,1H3
InChI Key:
UMAFKYBFJFIDSG-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.225g/mol
Monoisotopic Mass:
268.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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