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116489-97-5 | 2H-Azepin-2-one, 1-hexadecylhexahydro-
CAS No: 116489-97-5 Catalog No: AG000CN0 MDL No:
Product Description
Catalog Number:
AG000CN0
Chemical Name:
2H-Azepin-2-one, 1-hexadecylhexahydro-
CAS Number:
116489-97-5
Molecular Formula:
C22H43NO
Molecular Weight:
337.5829
IUPAC Name:
1-hexadecylazepan-2-one
InChI:
InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-21-18-15-16-19-22(23)24/h2-21H2,1H3
InChI Key:
LYQYWEFFQIZYDP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN1CCCCCC1=O
UNII:
31UJ6PG5MJ
NSC Number:
24542
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.334g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.592g/mol
Monoisotopic Mass:
337.334g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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