
 1-Methylcyclopropane-1-carboxylic acid

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.9054   -0.0992   -0.2410 C   0  0  0  0  0
    2.3753    0.0142    0.0762 C   0  0  0  0  0
    3.3501   -0.6456   -0.8875 C   0  0  0  0  0
    3.2225    0.8481   -0.8729 C   0  0  0  0  0
    2.7273    0.0635    1.5221 C   0  0  0  0  0
    2.6359    1.0626    2.2155 O   0  0  0  0  0
    3.1322   -1.1201    2.0197 O   0  0  0  0  0
    0.7166   -0.1306   -1.3197 H   0  0  0  0  0
    0.3614    0.7573    0.1712 H   0  0  0  0  0
    0.4933   -1.0132    0.1995 H   0  0  0  0  0
    2.9519   -1.1843   -1.7399 H   0  0  0  0  0
    4.2583   -1.0821   -0.4854 H   0  0  0  0  0
    4.0413    1.4259   -0.4566 H   0  0  0  0  0
    2.7380    1.3281   -1.7157 H   0  0  0  0  0
    3.3112   -0.9245    2.9624 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  4  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 12  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 15  1  0  0  0
M  END

>  <Chemical Name>
1-Methylcyclopropane-1-carboxylic acid

>  <PubChem CID>
81326

>  <Formula>
C5H8O2

>  <Molecular Weight>
100.117000

>  <IUPAC Name>
1-methylcyclopropane-1-carboxylic acid

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(CC1)C(=O)O

>  <Isomeric SMILES>
CC1(CC1)C(=O)O

>  <InChI Std. ID>
InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)

>  <InChI Key>
DIZKLZKLNKQFGB-UHFFFAOYSA-N

