About CID 58077765
CID 58077765 (PubChem CID 58077765) has the molecular formula C11H12O4
and a molecular weight of 208.21 g/mol.
Molecular Properties
| Compound Name | CID 58077765 |
|---|
| PubChem CID | 58077765 |
|---|
| Molecular Formula | C11H12O4 |
|---|
| Molecular Weight | 208.21 g/mol |
|---|
| Exact Mass | 208.07 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [CH][C@H]1CC[C@@H]2O[C@@H]3C[C@@]2(O1)[C@H]1O[C@H]1C3=O |
|---|
| InChI | InChI=1S/C11H12O4/c1-5-2-3-7-11(15-5)4-6(13-7)8(12)9-10(11)14-9/h1,5-7,9-10H,2-4H2/t5-,6+,7-,9-,10-,11-/m0/s1 |
|---|
| InChIKey | KPNGUYMICFLFBJ-YUBIEATRSA-N |
|---|
| XLogP | 0.12 |
|---|
| TPSA | 48.06 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 208.21 |
| LogP ≤ 5 | 0.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 58077765?
The IUPAC name of CID 58077765 (CID 58077765) is not available.
What is the SMILES notation for CID 58077765?
The canonical SMILES for CID 58077765 is [CH][C@H]1CC[C@@H]2O[C@@H]3C[C@@]2(O1)[C@H]1O[C@H]1C3=O.
What is the InChIKey of CID 58077765?
The InChIKey is KPNGUYMICFLFBJ-YUBIEATRSA-N. The full InChI is InChI=1S/C11H12O4/c1-5-2-3-7-11(15-5)4-6(13-7)8(12)9-10(11)14-9/h1,5-7,9-10H,2-4H2/t5-,6+,7-,9-,10-,11-/m0/s1.
What are the key properties of CID 58077765?
CID 58077765 has a molecular weight of 208.21 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58077765 is sourced from PubChem (CID 58077765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).