2,3-Naphthalenediol,1,2,3,4-tetrahydro-5-(2-oxiranylmethoxy)- (35697-15-5)

The cis-1,2,3,4-Tetrahydro-5-(oxiranylmethoxy)-2,3-naphthalenediol, with the cas registry number 35697-15-5, has the systematic name of (2S,3R)-5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol. The molecular formula of the chemical is C₁₃H₁₆O₄.

The characteristics of this chemical are as followings: (1)XLogP3 0.5; (2)H-Bond Donor 2; (3)H-Bond Acceptor 4; (4)Rotatable Bond Count 3; (5)Exact Mass 236.104859; (6)MonoIsotopic Mass 236.104859; (7)Topological Polar Surface Area 62.2; (8)Heavy Atom Count 17; (9)Formal Charge 0; (10)Complexity 270; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 2; (13)Undefined Atom StereoCenter Count 1; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 1.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[C@H]2Cc3cccc(OCC1CO1)c3C[C@H]2O
(2)InChI: InChI=1/C13H16O4/c14-11-4-8-2-1-3-13(10(8)5-12(11)15)17-7-9-6-16-9/h1-3,9,11-12,14-15H,4-7H2/t9?,11-,12+/m0/s1
(3)InChIKey: OAFYUCDEFSNRJA-CLGJWYQZBJ