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80900-28-3 | 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane-16-carbonitrile
CAS No: 80900-28-3 Catalog No: AG0050S8 MDL No:
Product Description
Catalog Number:
AG0050S8
Chemical Name:
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane-16-carbonitrile
CAS Number:
80900-28-3
Molecular Formula:
C13H24N2O5
Molecular Weight:
288.3401
IUPAC Name:
1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonitrile
InChI:
InChI=1S/C13H24N2O5/c14-13-15-1-3-16-5-7-18-9-11-20-12-10-19-8-6-17-4-2-15/h1-12H2
InChI Key:
ANZGDQIYVOSPQQ-UHFFFAOYSA-N
SMILES:
N#CN1CCOCCOCCOCCOCCOCC1
EC Number:
279-619-5
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.169g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.344g/mol
Monoisotopic Mass:
288.169g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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