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Home > Nitro Compounds > 86893-12-1
86893-12-1 | Benzoic acid, 4-(5-hexenyloxy)-, 4-nitrophenyl ester
CAS No: 86893-12-1 Catalog No: AG004LVS MDL No:
Product Description
Catalog Number:
AG004LVS
Chemical Name:
Benzoic acid, 4-(5-hexenyloxy)-, 4-nitrophenyl ester
CAS Number:
86893-12-1
Molecular Formula:
C19H19NO5
Molecular Weight:
341.3579
IUPAC Name:
(4-nitrophenyl) 4-hex-5-enoxybenzoate
InChI:
InChI=1S/C19H19NO5/c1-2-3-4-5-14-24-17-10-6-15(7-11-17)19(21)25-18-12-8-16(9-13-18)20(22)23/h2,6-13H,1,3-5,14H2
InChI Key:
STEYTEKOULMSBH-UHFFFAOYSA-N
SMILES:
C=CCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.363g/mol
Monoisotopic Mass:
341.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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