Compound 13
  CheckMol                        TMF02:r0:m0
MF=C6H8O6 MW=176.13
 12 12  0  1  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933    0.1646   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5045   -0.9289   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2576    1.4698   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8802   -0.3057   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6579    2.8455   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7274    1.1758   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1854   -1.0465   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8444    2.1870   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1972   -2.5280   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4906   -0.2940   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7958   -1.0347   -0.0000 O   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
  5  3  1  6  1  0  0
  4  6  1  0  0  0  0
  4  7  2  0  1  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  1  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5  7  1  0  1  0  0
M  END

2D Structure

Ascorbic acid

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Chemical Name - Ascorbic acid
Mol Weight - 176.124
Smiles - OC[C@@H]([C@H](C(O)=C1O)OC1=O)O

Property Name	Property Value
Mol Name	Ascorbic acid
Molweight	176.124
Monoisotopic Mass	176.03209
Clogp	-2.4646
Clogs	-0.349
H Acceptors	6
H Donors	4
Total Surface Area	114.83
Relative Psa	0.65697
Polar Surface Area	107.22
Druglikeness	0.023806
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.40905
Molecular Complexity	0.74811
Fragments	1
Non H Atoms	12
Non Ch Atoms	6
Electronegative Atoms	6
Stereo Centers	2
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	8
Smiles	OC[C@@H]([C@H](C(O)=C1O)OC1=O)O
InChIKey	InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m0/s1
InChI	CIWBSHSKHKDKBQ-VHUNDSFISA-N

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1 — Ascorbic acid | 2 — Ascorbic acid