CID 58544147

C10H11O4 — CID 58544147

IUPAC—
SMILES[CH2]Oc1ccccc1OCC(=O)OC
InChIInChI=1S/C10H11O4/c1-12-8-5-3-4-6-9(8)14-7-10(11)13-2/h3-6H,1,7H2,2H3
InChIKeyNIGIBQDNMSHDDW-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.41
Rot. Bonds4

About CID 58544147

CID 58544147 (PubChem CID 58544147) has the molecular formula C10H11O4 and a molecular weight of 195.19 g/mol.

Molecular Properties

Compound NameCID 58544147
PubChem CID58544147
Molecular FormulaC10H11O4
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name—
SMILES[CH2]Oc1ccccc1OCC(=O)OC
InChIInChI=1S/C10H11O4/c1-12-8-5-3-4-6-9(8)14-7-10(11)13-2/h3-6H,1,7H2,2H3
InChIKeyNIGIBQDNMSHDDW-UHFFFAOYSA-N
XLogP1.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63037600
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CID 10659779
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Frequently Asked Questions

What is the IUPAC name of CID 58544147?
The IUPAC name of CID 58544147 (CID 58544147) is not available.
What is the SMILES notation for CID 58544147?
The canonical SMILES for CID 58544147 is [CH2]Oc1ccccc1OCC(=O)OC.
What is the InChIKey of CID 58544147?
The InChIKey is NIGIBQDNMSHDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O4/c1-12-8-5-3-4-6-9(8)14-7-10(11)13-2/h3-6H,1,7H2,2H3.
What are the key properties of CID 58544147?
CID 58544147 has a molecular weight of 195.19 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544147 is sourced from PubChem (CID 58544147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).