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78837-84-0 | 1,4,13,16-Tetraoxacyclotetracosane-5,12,17,24-tetrone
CAS No: 78837-84-0 Catalog No: AG00553N MDL No:
Product Description
Catalog Number:
AG00553N
Chemical Name:
1,4,13,16-Tetraoxacyclotetracosane-5,12,17,24-tetrone
CAS Number:
78837-84-0
Molecular Formula:
C20H32O8
Molecular Weight:
400.4633
IUPAC Name:
1,4,13,16-tetraoxacyclotetracosane-5,12,17,24-tetrone
InChI:
InChI=1S/C20H32O8/c21-17-9-5-1-2-6-10-18(22)26-15-16-28-20(24)12-8-4-3-7-11-19(23)27-14-13-25-17/h1-16H2
InChI Key:
DWCKZHIJVVRVMC-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCC(=O)OCCOC(=O)CCCCCCC(=O)OCCO1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.468g/mol
Monoisotopic Mass:
400.21g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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