Chem 4 Methyl 7 Acetoxy Coumarin Clarion

Compound 24
  CheckMol                        TMF02:r0:m0
MF=C12H10O4 MW=218.21
 16 17  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4919   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3262   -2.2261   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    1.2788   -2.2379   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3380   -3.7180   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2670   -3.7299   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4640   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6523   -4.4640   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5576   -4.4758   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0592   -5.9559   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6642   -5.9559   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3735   -6.6901   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9785   -6.7019   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2929   -5.9441   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6072   -6.6901   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3047   -4.4285   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  6  9  1  0  0  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
 10 12 02  0  1  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  6  7 01  0  1  0  0
 11 12 01  0  1  0  0
M  END

4-Methyl-7-Acetoxy Coumarin

₹ 0.00 0.00

Chemical Name - 4-Methyl-7-Acetoxy Coumarin
Mol Weight - 218.207
Smiles - CC(Oc(cc1)cc(O2)c1C(C)=CC2=O)=O

Property Name	Property Value
Mol Name	4-Methyl-7-Acetoxy Coumarin
Molweight	218.207
Monoisotopic Mass	218.05791
Clogp	1.5623
Clogs	-2.399
H Acceptors	4
Total Surface Area	164.49
Relative Psa	0.28014
Polar Surface Area	52.6
Druglikeness	-7.0575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.5625
Molecular Flexibility	0.25899
Molecular Complexity	0.76113
Fragments	1
Non H Atoms	16
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Smiles	CC(Oc(cc1)cc(O2)c1C(C)=CC2=O)=O
InChIKey	InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
InChI	HXVZGASCDAGAPS-UHFFFAOYSA-N

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4-Methyl-7-Acetoxy Coumarin