Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Chem Isophorone | Cheminformatics

Isophorone


  • SKU Code: CH137319
Chemical Name - Isophorone
Mol Weight - 138.209
Smiles - CC(C)(CC(C)=C1)CC1=O
Property Name Property Value
Mol NameIsophorone
Molweight138.209
Monoisotopic Mass138.104465
Clogp2.1092
Clogs-2.035
H Acceptors1
Total Surface Area117.17
Relative Psa0.11129
Polar Surface Area17.07
Druglikeness-3.2476
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.5
Molecular Flexibility0.17127
Molecular Complexity0.66644
Fragments1
Non H Atoms10
Non Ch Atoms1
Electronegative Atoms1
Rings Closures1
Small Rings1
Sp3 Atoms6
Symmetric Atoms1
SmilesCC(C)(CC(C)=C1)CC1=O
InChIKeyInChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIHJOVHMDZYOCNQW-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 card 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 later, pay in cash at the time of actual delivery of product. No advance payment needed.

Click to Load Molecule
1 - Isophorone
2 - Isophorone
|spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface | Mep | Translucent | Spin | Label On| Off