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Home > Nitro Compounds > 88195-83-9
88195-83-9 | Hexadecanoic acid, 2-(acetyloxy)-, 4-nitrophenyl ester, (S)-
CAS No: 88195-83-9 Catalog No: AG004DYJ MDL No:
Product Description
Catalog Number:
AG004DYJ
Chemical Name:
Hexadecanoic acid, 2-(acetyloxy)-, 4-nitrophenyl ester, (S)-
CAS Number:
88195-83-9
Molecular Formula:
C24H37NO6
Molecular Weight:
435.5537
IUPAC Name:
(4-nitrophenyl) (2S)-2-acetyloxyhexadecanoate
InChI:
InChI=1S/C24H37NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30-20(2)26)24(27)31-22-18-16-21(17-19-22)25(28)29/h16-19,23H,3-15H2,1-2H3/t23-/m0/s1
InChI Key:
KCWHXPPGMJZVBU-QHCPKHFHSA-N
SMILES:
CCCCCCCCCCCCCC[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])OC(=O)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
435.262g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.561g/mol
Monoisotopic Mass:
435.262g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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