
 maleic acid

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2623    0.3492   -0.1309 C   0  0  0  0  0
    0.0508    0.8953    0.0314 C   0  0  0  0  0
   -1.1333    0.0428   -0.0814 C   0  0  0  0  0
   -1.1629   -1.1470   -0.3274 O   0  0  0  0  0
   -2.2445    0.7618    0.1339 O   0  0  0  0  0
    2.4477    1.1986   -0.0111 C   0  0  0  0  0
    2.4782    2.3935    0.2093 O   0  0  0  0  0
    3.5600    0.4681   -0.1771 O   0  0  0  0  0
    1.4116   -0.7026   -0.3456 H   0  0  0  0  0
   -0.0989    1.9465    0.2480 H   0  0  0  0  0
   -2.9721    0.1112    0.0434 H   0  0  0  0  0
    4.2893    1.1148   -0.0767 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 11  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 12  1  0  0  0
M  END

>  <Chemical Name>
maleic acid

>  <PubChem CID>
444266

>  <Formula>
C4H4O4

>  <Molecular Weight>
116.072000

>  <IUPAC Name>
(Z)-but-2-enedioic acid

>  <XlogP>
-0.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C(=CC(=O)O)C(=O)O

>  <Isomeric SMILES>
C(=C\C(=O)O)\C(=O)O

>  <InChI Std. ID>
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-

>  <InChI Key>
VZCYOOQTPOCHFL-UPHRSURJSA-N

