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1-Aza-12-crown 4-Ether

Catalog Number
ACM41775762-1
Product Name
1-Aza-12-crown 4-Ether
Structure
CAS
41775-76-2
Category
Macrocycles
IUPAC Name
1,4,7-trioxa-10-azacyclododecane
Molecular Weight
175.23g/mol
Molecular Formula
C8H17NO3
Canonical SMILES
C1COCCOCCOCCN1
InChI
InChI=1S/C8H17NO3/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9H,1-8H2
InChI Key
QNSRHBOZQLXYNV-UHFFFAOYSA-N
Complexity
90.3
Covalently-Bonded Unit Count
1
EC Number
255-549-0
Exact Mass
175.120843g/mol
Formal Charge
0
Heavy Atom Count
12
Monoisotopic Mass
175.120843g/mol
Rotatable Bond Count
0
XLogP3
-1.2
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