LXH

methyl (2~{S})-2-phenylpropanoate

Created:	2019-09-27
Last modified:	2021-04-07

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1 entries where LXH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	24
Aromatic Bond Count	6

2D diagram of LXH

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Chemical Component Summary
Name	methyl (2~{S})-2-phenylpropanoate
Systematic Name (OpenEye OEToolkits)	methyl (2~{S})-2-phenylpropanoate
Formula	C₁₀ H₁₂ O₂
Molecular Weight	164.201
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)[CH](C)c1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	CC(c1ccccc1)C(=O)OC
Canonical SMILES	CACTVS	3.385	COC(=O)[C@@H](C)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](c1ccccc1)C(=O)OC
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

Related Resource References

Resource Name	Reference
PubChem	9815297

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.