SYV
6-azanyl-3-methyl-1,3-benzoxazol-2-one
Created: | 2020-03-13 |
Last modified: | 2020-06-03 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 0 |
Bond Count | 21 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 6-azanyl-3-methyl-1,3-benzoxazol-2-one |
Systematic Name (OpenEye OEToolkits) | 6-azanyl-3-methyl-1,3-benzoxazol-2-one |
Formula | C8 H8 N2 O2 |
Molecular Weight | 164.161 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN1C(=O)Oc2cc(N)ccc12 |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccc(cc2OC1=O)N |
Canonical SMILES | CACTVS | 3.385 | CN1C(=O)Oc2cc(N)ccc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccc(cc2OC1=O)N |
InChI | InChI | 1.03 | InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3 |
InChIKey | InChI | 1.03 | FPNLXQSOWBNXCN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 6486006 |