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101772-33-2 | Benzamide, 4-(hexyloxy)-
CAS No: 101772-33-2 Catalog No: AG0005GS MDL No:
Product Description
Catalog Number:
AG0005GS
Chemical Name:
Benzamide, 4-(hexyloxy)-
CAS Number:
101772-33-2
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
4-hexoxybenzamide
InChI:
InChI=1S/C13H19NO2/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H2,14,15)
InChI Key:
NXOVDGSWSADBOP-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C(=O)N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| 4-Hexyl-oxybenzamide. | Acta crystallographica. Section E, Structure reports online 20110301 |
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