RCV

methyl [3-(aminomethyl)phenoxy]acetate

Created: 2020-02-10
Last modified:  2020-06-03

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count27
Aromatic Bond Count6
2D diagram of RCV

Chemical Component Summary

Namemethyl [3-(aminomethyl)phenoxy]acetate
Systematic Name (OpenEye OEToolkits)methyl 2-[3-(aminomethyl)phenoxy]ethanoate
FormulaC10 H13 N O3
Molecular Weight195.215
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c1ccc(CN)cc1OCC(=O)OC
SMILESCACTVS3.385COC(=O)COc1cccc(CN)c1
SMILESOpenEye OEToolkits2.0.6COC(=O)COc1cccc(c1)CN
Canonical SMILESCACTVS3.385 COC(=O)COc1cccc(CN)c1
Canonical SMILESOpenEye OEToolkits2.0.6 COC(=O)COc1cccc(c1)CN
InChIInChI1.03 InChI=1S/C10H13NO3/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3
InChIKeyInChI1.03 HUXMCFLTUUEWMA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 16774115