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2-Hexen-1-OL

Catalog Number ACM928950-1
CAS 928-95-0
Structure 2-Hexen-1-OL
IUPAC Name (E)-Hex-2-en-1-ol
Synonyms Trans-2-hexenol
Molecular Weight 100.16
Molecular Formula C6H12O
Canonical SMILES CCCC=CCO
InChI InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
InChI Key ZCHHRLHTBGRGOT-SNAWJCMRSA-N
Boiling Point 158-160 °C
Melting Point 54.63 °C
Flash Point 130 °F
Purity 99%+
Density 0.849 g/mL at 25 °C(lit.)
Solubility Slightly soluble in water
Complexity 48.1
Covalently-Bonded Unit Count 1
EC Number 218-972-1;213-191-2
Exact Mass 100.088815002
Heavy Atom Count 7
Hydrogen Bond Acceptor Count 1
Monoisotopic Mass 100.088815002
NSC Number 142553
Refractive Index n20/D 1.438(lit.)
Rotatable Bond Count 3
Topological Polar Surface Area 20.2 Ų
UNII BVP79C4821
X Log P3 1.4
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