
 (R)-3-Hydroxybutanoic acid

 15 14  0  0  0  0  0  0  0  0999 V2000
    0.9908    0.7847    0.6815 C   0  0  0  0  0
    2.2225    0.0784    0.1282 C   0  0  0  0  0
    2.1703   -0.1658   -1.3795 C   0  0  0  0  0
    2.0772    1.1094   -2.1679 C   0  0  0  0  0
    2.4825    2.2088   -1.8243 O   0  0  0  0  0
    1.5180    0.9279   -3.3784 O   0  0  0  0  0
    3.3952    0.8056    0.4870 O   0  0  0  0  0
    1.0605    0.8626    1.7721 H   0  0  0  0  0
    0.0753    0.2404    0.4306 H   0  0  0  0  0
    0.9057    1.8095    0.3063 H   0  0  0  0  0
    2.3037   -0.8964    0.6226 H   0  0  0  0  0
    1.3033   -0.7931   -1.6148 H   0  0  0  0  0
    3.0800   -0.6799   -1.7093 H   0  0  0  0  0
    1.5477    1.8126   -3.7997 H   0  0  0  0  0
    3.3491    1.6769    0.0431 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  1 10  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 14  1  0  0  0
  7 15  1  0  0  0
M  END

>  <Chemical Name>
(R)-3-Hydroxybutanoic acid

>  <PubChem CID>
92135

>  <Formula>
C4H8O3

>  <Molecular Weight>
104.105000

>  <IUPAC Name>
(3R)-3-hydroxybutanoic acid

>  <XlogP>
-0.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1

>  <InChI Key>
WHBMMWSBFZVSSR-GSVOUGTGSA-N

