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116430-52-5 | 2H-Azepin-2-one, hexahydro-1-tetradecyl-
CAS No: 116430-52-5 Catalog No: AG000CH3 MDL No:
Product Description
Catalog Number:
AG000CH3
Chemical Name:
2H-Azepin-2-one, hexahydro-1-tetradecyl-
CAS Number:
116430-52-5
Molecular Formula:
C20H39NO
Molecular Weight:
309.5298
IUPAC Name:
1-tetradecylazepan-2-one
InChI:
InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-19-16-13-14-17-20(21)22/h2-19H2,1H3
InChI Key:
NDFFLUPUGUDAOM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCN1CCCCCC1=O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.303g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.538g/mol
Monoisotopic Mass:
309.303g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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