Stereochemistry | ABSOLUTE |
Molecular Formula | C12H17NO.C4H6O4 |
Molecular Weight | 309.3575 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2
InChI
InChIKey=FYHWTGPJFRUSFQ-XOZOLZJESA-N
InChI=1S/C12H17NO.C4H6O4/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;5-3(6)1-2-4(7)8/h3-7,10,12H,8-9H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/t10-,12+;/m0./s1
Molecular Formula | C12H17NO |
Molecular Weight | 191.2695 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C4H6O4 |
Molecular Weight | 118.088 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |