BVK
2-[4-(aminomethyl)phenyl]ethanoic acid
Created: | 2017-10-16 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 2-[4-(aminomethyl)phenyl]ethanoic acid |
Systematic Name (OpenEye OEToolkits) | 2-[4-(aminomethyl)phenyl]ethanoic acid |
Formula | C9 H11 N O2 |
Molecular Weight | 165.189 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | NCc1ccc(CC(O)=O)cc1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CC(=O)O)CN |
Canonical SMILES | CACTVS | 3.385 | NCc1ccc(CC(O)=O)cc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CC(=O)O)CN |
InChI | InChI | 1.03 | InChI=1S/C9H11NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12) |
InChIKey | InChI | 1.03 | HAAUVXXFRQXTTQ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 40479069, 1514144 |