hydrogen peroxide;2-hydroxy-3-methylbenzoic acid

C8H10O5 — CID 161037568

IUPAChydrogen peroxide;2-hydroxy-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1O.OO
InChIInChI=1S/C8H8O3.H2O2/c1-5-3-2-4-6(7(5)9)8(10)11;1-2/h2-4,9H,1H3,(H,10,11);1-2H
InChIKeyUALLWGCUAIIVLE-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.42
Rot. Bonds1

About hydrogen peroxide;2-hydroxy-3-methylbenzoic acid

hydrogen peroxide;2-hydroxy-3-methylbenzoic acid (PubChem CID 161037568) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is hydrogen peroxide;2-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Namehydrogen peroxide;2-hydroxy-3-methylbenzoic acid
PubChem CID161037568
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namehydrogen peroxide;2-hydroxy-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1O.OO
InChIInChI=1S/C8H8O3.H2O2/c1-5-3-2-4-6(7(5)9)8(10)11;1-2/h2-4,9H,1H3,(H,10,11);1-2H
InChIKeyUALLWGCUAIIVLE-UHFFFAOYSA-N
XLogP1.42
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
CID 56975164
1-(2,3-dimethylphenyl)-2-(2-hydroxy-3-methylphenyl)ethane-1,2-dione
CID 67422540
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
ethane;2-fluoro-3-methylbenzoic acid
CID 145191844
azane;1-(2,3-dimethylphenyl)-2-(2-hydroxy-3-methylphenyl)ethane-1,2-dione
CID 67422539
3-methylbenzene-1,2-diol;oxalic acid
CID 174606670
2-acetyl-3-methylbenzoic acid
CID 23423450
2-hydroxy-3-prop-1-en-2-ylbenzoic acid
CID 11423898
2-bromobenzene-1,3-dicarboxylic acid;2-bromo-1,3-dimethylbenzene
CID 167562654

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2-hydroxy-3-methylbenzoic acid?
The IUPAC name of hydrogen peroxide;2-hydroxy-3-methylbenzoic acid (CID 161037568) is hydrogen peroxide;2-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for hydrogen peroxide;2-hydroxy-3-methylbenzoic acid?
The canonical SMILES for hydrogen peroxide;2-hydroxy-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1O.OO.
What is the InChIKey of hydrogen peroxide;2-hydroxy-3-methylbenzoic acid?
The InChIKey is UALLWGCUAIIVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.H2O2/c1-5-3-2-4-6(7(5)9)8(10)11;1-2/h2-4,9H,1H3,(H,10,11);1-2H.
What are the key properties of hydrogen peroxide;2-hydroxy-3-methylbenzoic acid?
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid has a molecular weight of 186.16 g/mol, XLogP of 1.42, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 161037568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).