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205371-71-7 | Hexacosanoic acid, 4-nitrophenyl ester
CAS No: 205371-71-7 Catalog No: AG002A0S MDL No:
Product Description
Catalog Number:
AG002A0S
Chemical Name:
Hexacosanoic acid, 4-nitrophenyl ester
CAS Number:
205371-71-7
Molecular Formula:
C32H55NO4
Molecular Weight:
517.7834
IUPAC Name:
(4-nitrophenyl) hexacosanoate
InChI:
InChI=1S/C32H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32(34)37-31-28-26-30(27-29-31)33(35)36/h26-29H,2-25H2,1H3
InChI Key:
IDNGWBXXXUORJP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.413g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
517.795g/mol
Monoisotopic Mass:
517.413g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.2
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