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Dibenzo-24-crown 8-Ether

Catalog Number
ACM14174095-1
Product Name
Dibenzo-24-crown 8-Ether
Structure
CAS
14174-09-5
Category
Macrocycles
IUPAC Name
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
Molecular Weight
448.5g/mol
Molecular Formula
C24H32O8
Canonical SMILES
C1COCCOC2=CC=CC=C2OCCOCCOCCOC3=CC=CC=C3OCCO1
InChI
InChI=1S/C24H32O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2
InChI Key
UNTITLLXXOKDTB-UHFFFAOYSA-N
Melting Point
104.0 °C
Complexity
372
Covalently-Bonded Unit Count
1
EC Number
238-027-7
Exact Mass
448.209718g/mol
Formal Charge
0
Heavy Atom Count
32
Log P
2.11 (LogP)
MeSH Entry Terms
6,7,9,10,12,12,20,21,23,24,26,27-dodecahydrodibenzo(b,n)-(1,4,7,10,13,16,19,22)octaoxacyclotetracosin;dibenzo(24)crown-8;dibenzo-24-crown-8
Monoisotopic Mass
448.209718g/mol
NSC Number
244972
Rotatable Bond Count
0
XLogP3
2.1
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