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Home > Nitro Compounds > 139119-69-0
139119-69-0 | 9-Octadecenoic acid, 4-nitrophenyl ester, (9E)-
CAS No: 139119-69-0 Catalog No: AG001ABU MDL No:
Product Description
Catalog Number:
AG001ABU
Chemical Name:
9-Octadecenoic acid, 4-nitrophenyl ester, (9E)-
CAS Number:
139119-69-0
Molecular Formula:
C24H37NO4
Molecular Weight:
403.5549
IUPAC Name:
(4-nitrophenyl) octadec-9-enoate
InChI:
InChI=1S/C24H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-20-18-22(19-21-23)25(27)28/h9-10,18-21H,2-8,11-17H2,1H3
InChI Key:
IIZFVKQORMKQDF-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.272g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.563g/mol
Monoisotopic Mass:
403.272g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
9
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