
 (R)-4-Hydroxyphenylglycine

 21 21  0  0  0  0  0  0  0  0999 V2000
   -1.0572    1.1897    0.0768 C   0  0  0  0  0
    0.3389    1.1614    0.0432 C   0  0  0  0  0
    1.0317   -0.0557   -0.0726 C   0  0  0  0  0
    0.2855   -1.2402   -0.1873 C   0  0  0  0  0
   -1.1049   -1.2014   -0.1502 C   0  0  0  0  0
   -1.7845    0.0043   -0.0156 C   0  0  0  0  0
   -1.7735   -2.3853   -0.2553 O   0  0  0  0  0
    2.5464   -0.0556   -0.1428 C   0  0  0  0  0
    3.1957   -1.2455    0.5985 C   0  0  0  0  0
    2.9987   -1.5887    1.7536 O   0  0  0  0  0
    4.0899   -1.9327   -0.1542 O   0  0  0  0  0
    2.9858    0.0119   -1.5576 N   0  0  0  0  0
   -1.5766    2.1406    0.1682 H   0  0  0  0  0
    0.8891    2.0993    0.0980 H   0  0  0  0  0
    0.7751   -2.2035   -0.3038 H   0  0  0  0  0
   -2.8686    0.0415    0.0100 H   0  0  0  0  0
   -2.7258   -2.2078   -0.1883 H   0  0  0  0  0
    2.9385    0.8377    0.3592 H   0  0  0  0  0
    4.3919   -2.6456    0.4477 H   0  0  0  0  0
    2.5837   -0.7909   -2.0420 H   0  0  0  0  0
    3.9909   -0.1711   -1.5672 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 16  1  0  0  0
  7 17  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 19  1  0  0  0
 12 20  1  0  0  0
 12 21  1  0  0  0
M  END

>  <Chemical Name>
(R)-4-Hydroxyphenylglycine

>  <PubChem CID>
117607

>  <Formula>
C8H9NO3

>  <Molecular Weight>
167.164000

>  <IUPAC Name>
(2R)-2-amino-2-(3-hydroxyphenyl)acetic acid

>  <XlogP>
-2.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=CC(=C1)O)C(C(=O)O)N

>  <Isomeric SMILES>
C1=CC(=CC(=C1)O)[C@H](C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1

>  <InChI Key>
DQLYTFPAEVJTFM-SSDOTTSWSA-N

