Chem Hexa Hydro Phthalic Anhydride Pacific

Compound 111
  CheckMol                        TMF02:r0:m0
MF=C8H10O3 MW=154.17
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6251   -1.3681   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1111   -1.6747   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1179   -2.6654   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2762   -3.1608   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8963   -3.7740   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5804   -2.9721   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5971   -3.9038   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482   -5.1893   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285   -4.3873   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143   -5.4960   -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  1  0  1  0  0
  4  6  1  0  2  0  0
  4  7  1  0  1  0  0
  5  8  2  0  0  0  0
  6  9  1  0  1  0  0
  7 10  1  0  1  0  0
  9 11  1  0  1  0  0
  5  6  1  0  1  0  0
 10 11  1  0  1  0  0
M  END

Hexa Hydro Phthalic Anhydride

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Chemical Name - Hexa Hydro Phthalic Anhydride
Mol Weight - 154.164
Smiles - O=C(C1C2CCCC1)OC2=O

Property Name	Property Value
Mol Name	Hexa Hydro Phthalic Anhydride
Molweight	154.164
Monoisotopic Mass	154.062995
Clogp	0.343
Clogs	-1.901
H Acceptors	3
Total Surface Area	112.04
Relative Psa	0.32203
Polar Surface Area	43.37
Druglikeness	-20.687
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.54545
Molecular Flexibility	0.17936
Molecular Complexity	0.71278
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	2
Rings Closures	2
Small Rings	2
Sp3 Atoms	7
Symmetric Atoms	5
Smiles	O=C(C1C2CCCC1)OC2=O
InChIKey	InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2
InChI	MUTGBJKUEZFXGO-UHFFFAOYSA-N

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1 - Hexa Hydro Phthalic Anhydride
2 - Hexa Hydro Phthalic Anhydride

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Hexa Hydro Phthalic Anhydride