2-carboxyphenolate;hydron

C7H6O3 — CID 118212070

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IUPAC2-carboxyphenolate;hydron
SMILESO=C(O)c1ccccc1[O-].[H+]
InChIInChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyYGSDEFSMJLZEOE-UHFFFAOYSA-N
MW138.12 g/mol
LogP0.57
Rot. Bonds1

About 2-carboxyphenolate;hydron

2-carboxyphenolate;hydron (PubChem CID 118212070) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is 2-carboxyphenolate;hydron.

Molecular Properties

Compound Name2-carboxyphenolate;hydron
PubChem CID118212070
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Name2-carboxyphenolate;hydron
SMILESO=C(O)c1ccccc1[O-].[H+]
InChIInChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyYGSDEFSMJLZEOE-UHFFFAOYSA-N
XLogP0.57
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-carboxyphenolate;hydron?
The IUPAC name of 2-carboxyphenolate;hydron (CID 118212070) is 2-carboxyphenolate;hydron.
What is the SMILES notation for 2-carboxyphenolate;hydron?
The canonical SMILES for 2-carboxyphenolate;hydron is O=C(O)c1ccccc1[O-].[H+].
What is the InChIKey of 2-carboxyphenolate;hydron?
The InChIKey is YGSDEFSMJLZEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10).
What are the key properties of 2-carboxyphenolate;hydron?
2-carboxyphenolate;hydron has a molecular weight of 138.12 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyphenolate;hydron is sourced from PubChem (CID 118212070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).