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;
Molecular Weight
166.176g/mol
Molecular Formula
C9H10O3;
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
