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AC6 : Summary
Code
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AC6
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One-letter code
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X
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Molecule name
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P-HYDROXYACETOPHENONE
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Systematic names
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Formula
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C8 H8 O2
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Formal charge
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0
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Molecular weight
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136.148 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(c1ccc(O)cc1)C |
SMILES
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CACTVS |
3.341 |
CC(=O)c1ccc(O)cc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)c1ccc(cc1)O |
Canonical SMILES
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CACTVS |
3.341 |
CC(=O)c1ccc(O)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)c1ccc(cc1)O |
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IUPAC InChI | InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3 |
IUPAC InChI key | TXFPEBPIARQUIG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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18 (10 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2006-04-21
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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