CID 87918176

C9H9AsO — CID 87918176

IUPAC—
SMILESO[C@H]1Cc2ccccc2[C@H]1[As]
InChIInChI=1S/C9H9AsO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5H2/t8-,9+/m0/s1
InChIKeyCMYNIHGTPWNOBB-DTWKUNHWSA-N
MW208.09 g/mol
LogP0.81
Rot. Bonds

About CID 87918176

CID 87918176 (PubChem CID 87918176) has the molecular formula C9H9AsO and a molecular weight of 208.09 g/mol.

Molecular Properties

Compound NameCID 87918176
PubChem CID87918176
Molecular FormulaC9H9AsO
Molecular Weight208.09 g/mol
Exact Mass207.99
IUPAC Name—
SMILESO[C@H]1Cc2ccccc2[C@H]1[As]
InChIInChI=1S/C9H9AsO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5H2/t8-,9+/m0/s1
InChIKeyCMYNIHGTPWNOBB-DTWKUNHWSA-N
XLogP0.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
(1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol
CID 125478754
1-(cyclopropylamino)-2,3-dihydro-1H-inden-2-ol
CID 77423862
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 14126785
(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel
CID 177486756
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086

Frequently Asked Questions

What is the IUPAC name of CID 87918176?
The IUPAC name of CID 87918176 (CID 87918176) is not available.
What is the SMILES notation for CID 87918176?
The canonical SMILES for CID 87918176 is O[C@H]1Cc2ccccc2[C@H]1[As].
What is the InChIKey of CID 87918176?
The InChIKey is CMYNIHGTPWNOBB-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H9AsO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5H2/t8-,9+/m0/s1.
What are the key properties of CID 87918176?
CID 87918176 has a molecular weight of 208.09 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87918176 is sourced from PubChem (CID 87918176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).