
 propionic acid

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.9825   -0.0634    0.0119 C   0  0  0  0  0
    2.4919    0.0621    0.0119 C   0  0  0  0  0
    2.9021    1.5050    0.0017 C   0  0  0  0  0
    3.0651    2.2021   -0.9855 O   0  0  0  0  0
    3.0451    2.0159    1.2385 O   0  0  0  0  0
    0.6858   -1.1169    0.0080 H   0  0  0  0  0
    0.5481    0.4187   -0.8706 H   0  0  0  0  0
    0.5477    0.4124    0.8974 H   0  0  0  0  0
    2.9226   -0.4228   -0.8704 H   0  0  0  0  0
    2.9261   -0.4331    0.8869 H   0  0  0  0  0
    3.2867    2.9530    1.0823 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  9  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
M  END

>  <Chemical Name>
propionic acid

>  <PubChem CID>
1032

>  <Formula>
C3H6O2

>  <Molecular Weight>
74.079000

>  <IUPAC Name>
propanoic acid

>  <XlogP>
0.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(=O)O

>  <Isomeric SMILES>
CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

>  <InChI Key>
XBDQKXXYIPTUBI-UHFFFAOYSA-N

