
 (S)-2-chlorosuccinic acid

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.3351    0.4493    0.0712 C   0  0  0  0  0
    1.9894    1.5277    1.0879 C   0  0  0  0  0
    3.2274    2.0333    1.7994 C   0  0  0  0  0
    4.3741    2.0053    1.3793 O   0  0  0  0  0
    2.9597    2.5710    3.0082 O   0  0  0  0  0
    1.2429    2.9248    0.2543 Cl  0  0  0  0  0
    2.8080   -0.7835    0.7806 C   0  0  0  0  0
    2.8251   -0.9733    1.9851 O   0  0  0  0  0
    3.2133   -1.7390   -0.0755 O   0  0  0  0  0
    1.4484    0.1775   -0.5127 H   0  0  0  0  0
    3.1244    0.7836   -0.6120 H   0  0  0  0  0
    1.2719    1.1543    1.8267 H   0  0  0  0  0
    3.8339    2.8549    3.3493 H   0  0  0  0  0
    3.5028   -2.4822    0.4951 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 11  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 13  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 14  1  0  0  0
M  END

>  <Chemical Name>
(S)-2-chlorosuccinic acid

>  <PubChem CID>
9793861

>  <Formula>
C4H5ClO4

>  <Molecular Weight>
152.530000

>  <IUPAC Name>
(2S)-2-chlorobutanedioic acid

>  <XlogP>
-0.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

>  <Isomeric SMILES>
C([C@@H](C(=O)O)Cl)C(=O)O

>  <InChI Std. ID>
InChI=1S/C4H5ClO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1

>  <InChI Key>
QEGKXSHUKXMDRW-REOHCLBHSA-N

