Stereochemistry | ABSOLUTE |
Molecular Formula | C9H13NO3.C2H4O2 |
Molecular Weight | 243.2564 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CNC[C@H](O)C1=CC(O)=C(O)C=C1
InChI
InChIKey=CEBXQLPKMNOIHN-FVGYRXGTSA-N
InChI=1S/C9H13NO3.C2H4O2/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-2(3)4/h2-4,9-13H,5H2,1H3;1H3,(H,3,4)/t9-;/m0./s1