LXH
Summary
Name: | methyl (2~{S})-2-phenylpropanoate |
Formula: | C10 H12 O2 |
Formal charge: | 0 |
Formula weight: | 164.201 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | methyl (2~{S})-2-phenylpropanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m0/s1 |
InChIKey | InChI | 1.03 | DZIQUZJSNSZOCH-QMMMGPOBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](C)c1ccccc1 |
SMILES | CACTVS | 3.385 | COC(=O)[CH](C)c1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)C(=O)OC |