Compound 50
  CheckMol                        TMF02:r0:m0
MF=C8H4O3 MW=148.12
 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 00  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 00  0  0  0  0  0  0  0  0  0  0
    1.5804   -2.9721   -0.0000 C   0 00  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 00  0  0  0  0  0  0  0  0  0  0
    2.0285   -4.3873   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.0143   -5.4960   -0.0000 C   0 00  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 02  0  2  0  0
  4  7 01  0  1  0  0
  5  8  2  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  9 11 02  0  1  0  0
  5  6  1  0  1  0  0
 10 11 01  0  1  0  0
M  END

2D Structure

Phthalic Anhydride

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Chemical Name - Phthalic Anhydride
Mol Weight - 148.117
Smiles - O=C(c1c2cccc1)OC2=O

Property Name	Property Value
Mol Name	Phthalic Anhydride
Molweight	148.117
Monoisotopic Mass	148.016045
Clogp	0.8842
Clogs	-2.123
H Acceptors	3
Total Surface Area	105.26
Relative Psa	0.34277
Polar Surface Area	43.37
Druglikeness	-15.465
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Shape Index	0.54545
Molecular Complexity	0.72179
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	5
Smiles	O=C(c1c2cccc1)OC2=O
InChIKey	InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
InChI	LGRFSURHDFAFJT-UHFFFAOYSA-N

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1 — Phthalic Anhydride | 2 — Phthalic Anhydride

Lead Nitrate - 1005

Phthalic Anhydride