Enter the cas number of the target product and click search to jump to the Mol file download page of the corresponding product.
Cyclopentanecarbonitrile, 1-methyl-3-oxo-
2-Methyl-1-[(E)-1-propenyl]benzene
1212154-73-8
1,4-Cyclohexadiene-1-carboxylic acid, 4-[6-(3,3-dimethyloxiranyl)-4-methyl-3-hexenyl]-, undecyl ester, (E)-
3,5-Pyridinedicarboxylic acid, 2-[[(4-ethoxy-2,4-dioxobutyl)thio]methyl]-1,4-dihydro-6-methyl-4-(3-nitro phenyl)-, 3-ethyl 5-methyl ester
1H-Indole-3-acetic acid, 2-phenyl-, ethyl ester
2,7-Diiodonaphthalene
4-Morpholinecarboxamide, N-(2,2-dichloroethenyl)-
1,3,4,6,7,8a-Hexahydro-2,5,5-trimethyl-2H-2,4a-ethanonaphthalen-8(5H)-one
(4-bromo-2-methyl-but-3-yn-2-yl) 4-nitrobenzoate
Mol file is a file format used to represent the structural information of chemical substances. It contains information such as atoms, bonds, connectivity, and coordinates of a single molecule compound. Mol file is usually a text file that contains some header information, a connection table of atomic information, bond connections and types, etc.
To create a MOL file, first write the header block (containing the molecule name and comments), then specify the number of atoms, the number of bonds, and other information in the count line, then list the coordinates and element symbols of each atom in the atom block, and define the type of connection between atoms in the bond block (such as single bond, double bond, etc.), and finally end with M END. The structure can be drawn and exported by chemical software (such as ChemDraw, Avogadro), or generated programmatically (such as using RDKit), ensuring that the format is aligned, the index is correct, and the file readability is verified.
