Chem 3 Benzyloxy Benzaldehyde Clarion

Compound 25
  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
    1.2948    0.7602   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8843    0.7721   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5776   -1.4848   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1791    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8724   -2.2213   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4738    0.7840   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672   -1.4729   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7686    0.0475   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0633    0.8077   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3581    0.0713   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0515    2.3282   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   11.6529    0.8434   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3462    3.1003   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   11.6410    2.3638   -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
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8  1  0  0  0  0
  6  9 02  0  1  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12 02  0  1  0  0
 11 13 01  0  1  0  0
 12 14 01  0  1  0  0
 13 15 02  0  1  0  0
 14 16 02  0  1  0  0
  7  9 01  0  1  0  0
 15 16 01  0  1  0  0
M  END

3-Benzyloxy Benzaldehyde

₹ 0.00 0.00

Chemical Name - 3-Benzyloxy Benzaldehyde
Mol Weight - 212.247
Smiles - O=Cc1cc(OCc2ccccc2)ccc1

Property Name	Property Value
Mol Name	3-Benzyloxy Benzaldehyde
Molweight	212.247
Monoisotopic Mass	212.08373
Clogp	2.941
Clogs	-3.281
H Acceptors	2
Total Surface Area	176.32
Relative Psa	0.13067
Polar Surface Area	26.3
Druglikeness	-4.4258
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.6875
Molecular Flexibility	0.45091
Molecular Complexity	0.57758
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	2
Smiles	O=Cc1cc(OCc2ccccc2)ccc1
InChIKey	InChI=1S/C14H12O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2
InChI	JAICGBJIBWDEIZ-UHFFFAOYSA-N

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1 - 3-Benzyloxy Benzaldehyde
2 - 3-Benzyloxy Benzaldehyde

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3-Benzyloxy Benzaldehyde