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2-(HYDROXYMETHYL)-12-CROWN 4-ETHER

Catalog Number
ACM75507265
CAS Number
75507-26-5
Product Name
2-(HYDROXYMETHYL)-12-CROWN 4-ETHER
Structure
Category
Macrocycles; Supramolecular Host Materials
IUPAC Name
1,4,7,10-tetraoxacyclododec-2-ylmethanol
Molecular Weight
206.24g/mol
Molecular Formula
C9H18O5
Canonical SMILES
C1COCCOC(COCCO1)CO
InChI
InChI=1S/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2
InChI Key
NJIPEIQHUNDGPY-UHFFFAOYSA-N
Purity
>95.0%(GC)
Complexity
130
Covalently-Bonded Unit Count
1
EC Number
278-224-5
Exact Mass
206.115424g/mol
Formal Charge
0
Heavy Atom Count
14
Monoisotopic Mass
206.115424g/mol
Rotatable Bond Count
1
XLogP3
-1.2
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