o-Hydroxy salicylic acid

C7H8O4 — CID 17862778

IUPAC6,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILESC1=CC(C(C=C1)(O)O)C(=O)O
InChIInChI=1S/C7H8O4/c8-6(9)5-3-1-2-4-7(5,10)11/h1-5,10-11H,(H,8,9)
InChIKeyJYRBKUGRRUQXNQ-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.60
Rot. Bonds1

About o-Hydroxy salicylic acid

o-Hydroxy salicylic acid (PubChem CID 17862778) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 6,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Nameo-Hydroxy salicylic acid
PubChem CID17862778
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name6,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILESC1=CC(C(C=C1)(O)O)C(=O)O
InChIInChI=1S/C7H8O4/c8-6(9)5-3-1-2-4-7(5,10)11/h1-5,10-11H,(H,8,9)
InChIKeyJYRBKUGRRUQXNQ-UHFFFAOYSA-N
XLogP0.60
TPSA77.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity227

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-2-methylbenzoic acid
CID 21613087
2,3,4,5-Tetrafluorosalicylic acid
CID 129785341
6-Hydroxycyclohexa-2,4-diene-1-carboxylic acid
CID 10743959
1,2-Dihydroxycyclohexadiene carboxylic acid
CID 20026377
2,6-Dichloro-2-hydroxybenzoic acid
CID 21118838
Dihydrooxybenzoic acid
CID 44308128
6-Bromo-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
CID 57347902
Hydroquinone-1,4-diacetic acid
CID 57465820
o-Chlorsalicylsaure
CID 67323003
2,5-Dihydroxysalicylic acid
CID 67823854
Dihydroxy-3,5-cyclohexadiene-1,4-dicarboxylic acid
CID 90258234
Methyl 6-hydroxycyclohexa-2,4-diene-1-carboxylate
CID 123625865

Frequently Asked Questions

What is the IUPAC name of o-Hydroxy salicylic acid?
The IUPAC name of o-Hydroxy salicylic acid (CID 17862778) is 6,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for o-Hydroxy salicylic acid?
The canonical SMILES for o-Hydroxy salicylic acid is C1=CC(C(C=C1)(O)O)C(=O)O.
What is the InChIKey of o-Hydroxy salicylic acid?
The InChIKey is JYRBKUGRRUQXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-6(9)5-3-1-2-4-7(5,10)11/h1-5,10-11H,(H,8,9).
What are the key properties of o-Hydroxy salicylic acid?
o-Hydroxy salicylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for o-Hydroxy salicylic acid is sourced from PubChem (CID 17862778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).