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Benzo-12-crown 4-Ether

Catalog Number
ACM14174084-1
Product Name
Benzo-12-crown 4-Ether
Structure
CAS
14174-08-4
Category
Macrocycles
IUPAC Name
2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene
Molecular Weight
224.25g/mol
Molecular Formula
C12H16O4
Canonical SMILES
C1COCCOC2=CC=CC=C2OCCO1
InChI
InChI=1S/C12H16O4/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12/h1-4H,5-10H2
InChI Key
OAJNZFCPJVBYHB-UHFFFAOYSA-N
Complexity
166
Covalently-Bonded Unit Count
1
Exact Mass
224.104859g/mol
Formal Charge
0
Heavy Atom Count
16
Monoisotopic Mass
224.104859g/mol
Rotatable Bond Count
0
XLogP3
1.1
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