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Home > Nitro Compounds > 79644-27-2
79644-27-2 | Tridecanoic acid, 4-nitrophenyl ester
CAS No: 79644-27-2 Catalog No: AG005IO1 MDL No:
Product Description
Catalog Number:
AG005IO1
Chemical Name:
Tridecanoic acid, 4-nitrophenyl ester
CAS Number:
79644-27-2
Molecular Formula:
C19H29NO4
Molecular Weight:
335.4379
IUPAC Name:
(4-nitrophenyl) tridecanoate
InChI:
InChI=1S/C19H29NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19(21)24-18-15-13-17(14-16-18)20(22)23/h13-16H,2-12H2,1H3
InChI Key:
MLCRTZQIDARSHX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.21g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.444g/mol
Monoisotopic Mass:
335.21g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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