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88675-35-8 | Ethanone, 2-(hexahydro-1H-azepin-1-yl)-1-[4-(pentyloxy)phenyl]-
CAS No: 88675-35-8 Catalog No: AG0047GX MDL No:
Product Description
Catalog Number:
AG0047GX
Chemical Name:
Ethanone, 2-(hexahydro-1H-azepin-1-yl)-1-[4-(pentyloxy)phenyl]-
CAS Number:
88675-35-8
Molecular Formula:
C19H29NO2
Molecular Weight:
303.4391
IUPAC Name:
2-(azepan-1-yl)-1-(4-pentoxyphenyl)ethanone
InChI:
InChI=1S/C19H29NO2/c1-2-3-8-15-22-18-11-9-17(10-12-18)19(21)16-20-13-6-4-5-7-14-20/h9-12H,2-8,13-16H2,1H3
InChI Key:
FZZHDLIDYCCSEJ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C(=O)CN1CCCCCC1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.22g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.446g/mol
Monoisotopic Mass:
303.22g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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