2-carboxyphenolate

C7H5O3- — CID 54675850

IUPAC2-carboxyphenolate
SMILESO=C(O)c1ccccc1[O-]
InChIInChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1
InChIKeyYGSDEFSMJLZEOE-UHFFFAOYSA-M
MW137.11 g/mol
LogP0.46
Rot. Bonds1

About 2-carboxyphenolate

2-carboxyphenolate (PubChem CID 54675850) has the molecular formula C7H5O3- and a molecular weight of 137.11 g/mol. Its IUPAC name is 2-carboxyphenolate.

Molecular Properties

Compound Name2-carboxyphenolate
PubChem CID54675850
Molecular FormulaC7H5O3-
Molecular Weight137.11 g/mol
Exact Mass137.02
IUPAC Name2-carboxyphenolate
SMILESO=C(O)c1ccccc1[O-]
InChIInChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1
InChIKeyYGSDEFSMJLZEOE-UHFFFAOYSA-M
XLogP0.46
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Salicylic Acid
CID 338
Methyl Salicylate
CID 4133
Aspirin
CID 2244
2,5-Dihydroxybenzoic acid
CID 3469
2,3-Dihydroxybenzoic Acid
CID 19
Salicylaldehyde
CID 6998
Benzyl Salicylate
CID 8363
Sodium Salicylate
CID 16760658
3-Hydroxybenzoic Acid
CID 7420
2,4,6-Trihydroxybenzoic acid
CID 66520
3-Methylsalicylic Acid
CID 6738

Frequently Asked Questions

What is the IUPAC name of 2-carboxyphenolate?
The IUPAC name of 2-carboxyphenolate (CID 54675850) is 2-carboxyphenolate.
What is the SMILES notation for 2-carboxyphenolate?
The canonical SMILES for 2-carboxyphenolate is O=C(O)c1ccccc1[O-].
What is the InChIKey of 2-carboxyphenolate?
The InChIKey is YGSDEFSMJLZEOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1.
What are the key properties of 2-carboxyphenolate?
2-carboxyphenolate has a molecular weight of 137.11 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyphenolate is sourced from PubChem (CID 54675850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).