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2-(Hydroxymethyl)-15-crown 5-Ether

Catalog Number
ACM75507254-1
CAS Number
75507-25-4
Product Name
2-(Hydroxymethyl)-15-crown 5-Ether
Structure
Category
Macrocycles; Supramolecular Host Materials
IUPAC Name
1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol
Molecular Weight
250.29g/mol
Molecular Formula
C11H22O6
Canonical SMILES
C1COCCOCC(OCCOCCO1)CO
InChI
InChI=1S/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2
InChI Key
YHIQMMGCRYKJLB-UHFFFAOYSA-N
Complexity
166
Covalently-Bonded Unit Count
1
EC Number
278-222-4
Exact Mass
250.141638g/mol
Formal Charge
0
Heavy Atom Count
17
Monoisotopic Mass
250.141638g/mol
Rotatable Bond Count
1
XLogP3
-1.4
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