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113941-32-5 | 2H-Azepin-2-one, 1-[3-(dodecyloxy)-2-hydroxypropyl]hexahydro-
CAS No: 113941-32-5 Catalog No: AG000A4M MDL No:
Product Description
Catalog Number:
AG000A4M
Chemical Name:
2H-Azepin-2-one, 1-[3-(dodecyloxy)-2-hydroxypropyl]hexahydro-
CAS Number:
113941-32-5
Molecular Formula:
C21H41NO3
Molecular Weight:
355.5551
IUPAC Name:
1-(3-dodecoxy-2-hydroxypropyl)azepan-2-one
InChI:
InChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-14-17-25-19-20(23)18-22-16-13-11-12-15-21(22)24/h20,23H,2-19H2,1H3
InChI Key:
FYRYVUHDMSURJO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOCC(CN1CCCCCC1=O)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.309g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.563g/mol
Monoisotopic Mass:
355.309g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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