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114609-80-2 | 1H-Azepine-2,7-dione, 1-dodecyltetrahydro-
CAS No: 114609-80-2 Catalog No: AG000EU2 MDL No:
Product Description
Catalog Number:
AG000EU2
Chemical Name:
1H-Azepine-2,7-dione, 1-dodecyltetrahydro-
CAS Number:
114609-80-2
Molecular Formula:
C18H33NO2
Molecular Weight:
295.4601
IUPAC Name:
1-dodecylazepane-2,7-dione
InChI:
InChI=1S/C18H33NO2/c1-2-3-4-5-6-7-8-9-10-13-16-19-17(20)14-11-12-15-18(19)21/h2-16H2,1H3
InChI Key:
CNNNWFYURNLRDO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1C(=O)CCCCC1=O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.251g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.467g/mol
Monoisotopic Mass:
295.251g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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