5-Oxa-2-octyne-1,7-diol

Catalog Number	ACM1606797-1
CAS	1606-79-7
Structure
Synonyms	4-(2-Hydroxypropoxy)-2-butyn-1-ol
IUPAC Name	4-(2-Hydroxypropoxy)but-2-yn-1-ol
Molecular Weight	144.17
Molecular Formula	C7H12O3
Canonical SMILES	CC(COCC#CCO)O
InChI	InChI=1S/C7H12O3/c1-7(9)6-10-5-3-2-4-8/h7-9H,4-6H2,1H3
InChI Key	GFDLMAQAFYECMB-UHFFFAOYSA-N
Boiling Point	285.2±20.0 °C
Purity	50%+
Density	1.07-1.09(20°C)
Appearance	Liquid
Storage	Sealed in dry, 2-8 °C
Exact Mass	144.078644241
Hydrogen-Bond Acceptor Count	3
Hydrogen-Bond Donor Count	2
Monoisotopic Mass	144.078644241
Rotatable-Bond Count	3
Topological Polar Surface Area	49.7 Ų

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