3-(carboxymethoxy)benzoic acid

C9H8O5 — CID 12840089

IUPAC3-(carboxymethoxy)benzoic acid
SMILESO=C(O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C9H8O5/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKeyGXFAJSDLPLCRIQ-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.85
Rot. Bonds4

About 3-(carboxymethoxy)benzoic acid

3-(carboxymethoxy)benzoic acid (PubChem CID 12840089) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is 3-(carboxymethoxy)benzoic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)benzoic acid
PubChem CID12840089
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name3-(carboxymethoxy)benzoic acid
SMILESO=C(O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C9H8O5/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKeyGXFAJSDLPLCRIQ-UHFFFAOYSA-N
XLogP0.85
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxy)benzoic acid?
The IUPAC name of 3-(carboxymethoxy)benzoic acid (CID 12840089) is 3-(carboxymethoxy)benzoic acid.
What is the SMILES notation for 3-(carboxymethoxy)benzoic acid?
The canonical SMILES for 3-(carboxymethoxy)benzoic acid is O=C(O)COc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(carboxymethoxy)benzoic acid?
The InChIKey is GXFAJSDLPLCRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O5/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13).
What are the key properties of 3-(carboxymethoxy)benzoic acid?
3-(carboxymethoxy)benzoic acid has a molecular weight of 196.16 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)benzoic acid is sourced from PubChem (CID 12840089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).