Cyclopenta[c]pyran-7-carboxaldehyde,4-[(acetyloxy)methyl]- (18234-46-3)

The Baldrinal with the cas number 18234-46-3 is also called 4-(Hydroxymethyl)cyclopenta(c)pyran-7-carboxaldehyde acetate. The systematic name is Cyclopenta(c)pyran-7-carboxaldehyde, 4-(hydroxymethyl)-, acetate and the IUPAC name is (7-formylcyclopenta[c]pyran-4-yl)methyl acetate. The molecular formula of the chemical is C₁₂H₁₀O₄. Its classification code is Mutation data.

Properties Computed from Structure: (1)XLogP3-AA: 1.1; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 4; (5)Exact Mass: 218.057909; (6)MonoIsotopic Mass: 218.057909; (7)Topological Polar Surface Area: 56.5; (8)Heavy Atom Count: 16; (9)Formal Charge: 0; (10)Complexity: 276; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(c(co1)COC(=O)C)ccc2C=O
(2)InChI: InChI=1/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3

The toxicity data is as follows: