Compound 13
  CheckMol                        TMF02:r0:m0
MF=C9H14O MW=138.21
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3093   -0.7313   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6187    0.0354   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211   -2.2176   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280   -0.6960   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305   -2.9490   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9398   -2.1822   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2374    0.0708   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3972   -4.2347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991   -4.2347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  2  0  1  0  0
  4  6  1  0  1  0  0
  5  7  1  0  1  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  1  0  0
M  END

2D Structure

Isophorone

₹ 0.00 0.00

Request Quote

Chemical Name - Isophorone
Mol Weight - 138.209
Smiles - CC(C)(CC(C)=C1)CC1=O

Property Name	Property Value
Mol Name	Isophorone
Molweight	138.209
Monoisotopic Mass	138.104465
Clogp	2.1092
Clogs	-2.035
H Acceptors	1
Total Surface Area	117.17
Relative Psa	0.11129
Polar Surface Area	17.07
Druglikeness	-3.2476
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.5
Molecular Flexibility	0.17127
Molecular Complexity	0.66644
Fragments	1
Non H Atoms	10
Non Ch Atoms	1
Electronegative Atoms	1
Rings Closures	1
Small Rings	1
Sp3 Atoms	6
Symmetric Atoms	1
Smiles	CC(C)(CC(C)=C1)CC1=O
InChIKey	InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChI	HJOVHMDZYOCNQW-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.

1 — Isophorone | 2 — Isophorone