(2-methylphenyl)arsonous acid

C7H9AsO2 — CID 71382438

IUPAC(2-methylphenyl)arsonous acid
SMILESCc1ccccc1[As](O)O
InChIInChI=1S/C7H9AsO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5,9-10H,1H3
InChIKeyCJFPARXFMBITAC-UHFFFAOYSA-N
MW200.07 g/mol
LogP-0.33
Rot. Bonds1

About (2-methylphenyl)arsonous acid

(2-methylphenyl)arsonous acid (PubChem CID 71382438) has the molecular formula C7H9AsO2 and a molecular weight of 200.07 g/mol. Its IUPAC name is (2-methylphenyl)arsonous acid.

Molecular Properties

Compound Name(2-methylphenyl)arsonous acid
PubChem CID71382438
Molecular FormulaC7H9AsO2
Molecular Weight200.07 g/mol
Exact Mass199.98
IUPAC Name(2-methylphenyl)arsonous acid
SMILESCc1ccccc1[As](O)O
InChIInChI=1S/C7H9AsO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5,9-10H,1H3
InChIKeyCJFPARXFMBITAC-UHFFFAOYSA-N
XLogP-0.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Butylbenzene
CID 7705
Propylbenzene
CID 7668
trans-beta-METHYLSTYRENE
CID 252325
beta-Methylstyrene
CID 12500
Benzene, ethenyl-, polymer with 1,3-butadiene
CID 62697
Toluene-d8
CID 74861
Tolylboronic acid
CID 79799
1-Phenyl-2-butene
CID 5356732

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)arsonous acid?
The IUPAC name of (2-methylphenyl)arsonous acid (CID 71382438) is (2-methylphenyl)arsonous acid.
What is the SMILES notation for (2-methylphenyl)arsonous acid?
The canonical SMILES for (2-methylphenyl)arsonous acid is Cc1ccccc1[As](O)O.
What is the InChIKey of (2-methylphenyl)arsonous acid?
The InChIKey is CJFPARXFMBITAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9AsO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5,9-10H,1H3.
What are the key properties of (2-methylphenyl)arsonous acid?
(2-methylphenyl)arsonous acid has a molecular weight of 200.07 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)arsonous acid is sourced from PubChem (CID 71382438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).