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15939-31-8 | Azacyclohexacosan-14-one, 1-acetyl-
CAS No: 15939-31-8 Catalog No: AG001QNJ MDL No:
Product Description
Catalog Number:
AG001QNJ
Chemical Name:
Azacyclohexacosan-14-one, 1-acetyl-
CAS Number:
15939-31-8
Molecular Formula:
C27H51NO2
Molecular Weight:
421.6993
IUPAC Name:
1-acetyl-azacyclohexacosan-14-one
InChI:
InChI=1S/C27H51NO2/c1-26(29)28-24-20-16-12-8-4-2-6-10-14-18-22-27(30)23-19-15-11-7-3-5-9-13-17-21-25-28/h2-25H2,1H3
InChI Key:
WDYSSBJKBLRPLB-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCCCN(CCCCCCCCCCCC1)C(=O)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.392g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.71g/mol
Monoisotopic Mass:
421.392g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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