Chem Propyl Malonic Acid Dsrpl

Compound 97
  CheckMol                        TMF02:r0:m0
MF=C6H10O4 MW=146.14
 10  9  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2877    0.7679   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    0.0354   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2758    2.2800   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0360   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5635    3.0360   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473    4.5481   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467    2.2918   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8512    2.2918   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1388    3.0478   -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  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END

propyl Malonic Acid

₹ 0.00 0.00

Chemical Name - propyl Malonic Acid
Mol Weight - 146.141
Smiles - CCCC(C(O)=O)C(O)=O

Property Name	Property Value
Mol Name	propyl Malonic Acid
Molweight	146.141
Monoisotopic Mass	146.05791
Clogp	0.0061
Clogs	-0.904
H Acceptors	4
H Donors	2
Total Surface Area	113.98
Relative Psa	0.45868
Polar Surface Area	74.6
Druglikeness	-7.0189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.83417
Molecular Complexity	0.72259
Fragments	1
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	4
Sp3 Atoms	6
Symmetric Atoms	3
Acidic Oxygens	2
Smiles	CCCC(C(O)=O)C(O)=O
InChIKey	InChI=1S/C6H10O4/c1-2-3-4(5(7)8)6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChI	VQDJODAWOFNASI-UHFFFAOYSA-N

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1 - propyl Malonic Acid
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propyl Malonic Acid