Software for chemicals, Pharmaceutical & Biotech Industry

Compound 90
  CheckMol                        TMF02:r0:m0
MF=C14H12O2 MW=212.25
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4917   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3259   -2.2257   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2786   -2.2257   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6400   -1.4680   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -3.7173   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5690   -1.4680   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9541   -2.2020   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5571   -4.4632   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8594   -2.2138   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2682   -1.4325   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9659   -3.6936   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8475   -3.7055   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5823   -2.1665   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2800   -4.4276   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5941   -3.6581   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  8 11 02  0  1  0  0
  8 12 01  0  1  0  0
  9 13 02  0  1  0  0
 11 14 01  0  1  0  0
 12 15 02  0  1  0  0
 14 16 02  0  1  0  0
 10 13 01  0  1  0  0
 15 16 01  0  1  0  0
M  END

Benzyl Benzoate

₹ 0.00 0.00

Chemical Name - Benzyl Benzoate
Mol Weight - 212.247
Smiles - O=C(c1ccccc1)OCc1ccccc1

Property Name	Property Value
Mol Name	Benzyl Benzoate
Molweight	212.247
Monoisotopic Mass	212.08373
Clogp	2.9907
Clogs	-3.08
H Acceptors	2
Total Surface Area	174.53
Relative Psa	0.13201
Polar Surface Area	26.3
Druglikeness	-1.5588
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.6875
Molecular Flexibility	0.42588
Molecular Complexity	0.51585
Fragments	1
Non H Atoms	16
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Symmetric Atoms	4
Smiles	O=C(c1ccccc1)OCc1ccccc1
InChIKey	InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChI	SESFRYSPDFLNCH-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 - Benzyl Benzoate
2 - Benzyl Benzoate

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

Benzyl Benzoate