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U4J : Summary
Code ![](/pdbe/static/images/help.png)
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U4J
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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3-(4-methoxyphenyl)benzoic acid
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C14 H12 O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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228.243 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1ccc(cc1)c2cccc(c2)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1ccc(cc1)c2cccc(c2)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
COc1ccc(cc1)c2cccc(c2)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1ccc(cc1)c2cccc(c2)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H12O3/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VWDMBLJBLIUXFS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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29 (17 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2017-07-27
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Last modified at ![](/pdbe/static/images/help.png)
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2018-01-05
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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