3,4-Methylenedioxyphenylethylalcohol

• CAS: 6006-82-2
• Catalog Number: ACM6006822
• Category: Other Products
• Molecular Weight: 166.176g/mol
• Molecular Formula: C9H10O3
• Synonyms: 2-benzo[1,3]dioxol-5-yl-ethanol; EF-0746; 6478AE; JADSGOFBFPTCHG-UHFFFAOYSA-N; 2-(Benzo[d][1,3]dioxol-5-yl)ethanol; KS-000024VT; benzodioxolylethanol; 3,4-(methylenedioxy)phenethyl alcohol, AldrichCPR; SBB087979; DB-053524
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethanol
• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CCO
• InChI: InChI=1S/C9H10O3/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5,10H,3-4,6H2
• InChI Key: JADSGOFBFPTCHG-UHFFFAOYSA-N
• Complexity: 149
• Covalently-Bonded Unit Count: 1
• Exact Mass: 166.063g/mol
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 12
• Monoisotopic Mass: 166.063g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 38.7A^2