7Y8
3-[(2R)-2-azanyl-1-oxidanyl-propyl]phenol
Created: | 2021-11-02 |
Last modified: | 2025-03-26 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 1 |
Bond Count | 25 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 3-[(2R)-2-azanyl-1-oxidanyl-propyl]phenol |
Systematic Name (OpenEye OEToolkits) | 3-[(2~{R})-2-azanyl-1-oxidanyl-propyl]phenol |
Formula | C9 H13 N O2 |
Molecular Weight | 167.205 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | C[CH](N)[CH](O)c1cccc(O)c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(c1cccc(c1)O)O)N |
Canonical SMILES | CACTVS | 3.385 | C[C@@H](N)[C@@H](O)c1cccc(O)c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@H](C(c1cccc(c1)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9?/m1/s1 |
InChIKey | InChI | 1.03 | WXFIGDLSSYIKKV-VJSCVCEBSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 6321237 |