Menu
2D Structure

1,3-Cyclohexanedione


  • SKU Code: CH137901
Request Quote
Chemical Name - 1,3-Cyclohexanedione
Mol Weight - 112.128
Smiles - O=C(CCC1)CC1=O
Property Name Property Value
Mol Name1,3-Cyclohexanedione
Molweight112.128
Monoisotopic Mass112.05243
Clogp0.6352
Clogs-1.454
H Acceptors2
Total Surface Area90.54
Relative Psa0.28805
Polar Surface Area34.14
Druglikeness-12.991
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.625
Molecular Flexibility0.21074
Molecular Complexity0.59947
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rings Closures1
Small Rings1
Sp3 Atoms4
Symmetric Atoms3
SmilesO=C(CCC1)CC1=O
InChIKeyInChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChIHJSLFCCWAKVHIW-UHFFFAOYSA-N

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile, trade leads and products are user generated content.

Molecule Properties are generated theoretically — any objection please contact us.

Shipping

Usually delivered in 3–4 days.

Enter pincode for exact delivery dates/charges.

Credit / Debit Card Payment

We accept all major credit / debit cards for payment; you can also pay through online banking.

Cash On Delivery

If available, select Cash on Delivery (CoD) payment option while placing the order and pay in cash at the time of actual delivery. No advance payment needed.