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79688-17-8 | 1,4,7,15-Tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone
CAS No: 79688-17-8 Catalog No: AG005IMY MDL No:
Product Description
Catalog Number:
AG005IMY
Chemical Name:
1,4,7,15-Tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone
CAS Number:
79688-17-8
Molecular Formula:
C16H26N2O8
Molecular Weight:
374.3862
IUPAC Name:
1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone
InChI:
InChI=1S/C16H26N2O8/c19-13-1-3-15(21)25-11-9-24-10-12-26-16(22)4-2-14(20)18-6-8-23-7-5-17-13/h1-12H2,(H,17,19)(H,18,20)
InChI Key:
RZLBZDBGIGWXGD-UHFFFAOYSA-N
SMILES:
O=C1NCCOCCNC(=O)CCC(=O)OCCOCCOC(=O)CC1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.169g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.39g/mol
Monoisotopic Mass:
374.169g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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