Compound 11
  CheckMol                        TMF02:r0:m0
MF=C8H9NaO3 MW=176.15
 12 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1738    2.4321   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7706    1.9293   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6247    2.9115   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5251    0.4560   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8937    4.4082   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6944   -0.5028   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1220   -0.0468   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4488   -1.9761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8764   -1.5201   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0457   -2.4789   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8001   -3.9521   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7 02  0  1  0  0
  5  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11 02  0  1  0  0
 11 12  1  0  0  0  0
 10 11 01  0  1  0  0
M  END

2D Structure

Sodium methyl paraben

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Chemical Name - Sodium methyl paraben
Mol Weight - 152.149
Smiles - COC(c(cc1)ccc1O)=O.[Na]

Property Name	Property Value
Mol Name	Sodium methyl paraben
Molweight	152.149
Monoisotopic Mass	152.047345
Clogp	1.2269
Clogs	-1.461
H Acceptors	3
H Donors	1
Total Surface Area	119.62
Relative Psa	0.30212
Polar Surface Area	46.53
Druglikeness	-3.8432
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.72727
Molecular Flexibility	0.39443
Molecular Complexity	0.6089
Fragments	2
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	2
Smiles	COC(c(cc1)ccc1O)=O.[Na]
InChIKey	InChI=1S/C8H8O3.Na.H/c1-11-8(10)6-2-4-7(9)5-3-6;;/h2-5,9H,1H3;;
InChI	WNVNERGJWGBAPV-UHFFFAOYSA-N

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1 — Sodium methyl paraben | 2 — Sodium methyl paraben